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Quinolines and derivatives

Aromatic organic heterocyclic compounds that contain a benzene ring fused with a six-membered ring that contains one nitrogen atom and five carbon atoms. Includes compounds that are derived from quinolines.

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1

Aripiprazole

CAS: 129722-12-9 Molecular Formula: C23H27Cl2N3O2 Molecular Weight (g/mol): 448.39 InChI Key: CEUORZQYGODEFX-UHFFFAOYSA-N Synonym: aripiprazole,abilify,abilitat,abilify discmelt,discmelt,aripiprazol,opc 31,aripiprazole usan,aripiprazolum,aripirazole PubChem CID: 60795 ChEBI: CHEBI:31236 IUPAC Name: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one SMILES: C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl

PubChem CID 60795
CAS 129722-12-9
Molecular Weight (g/mol) 448.39
ChEBI CHEBI:31236
SMILES C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl
Synonym aripiprazole,abilify,abilitat,abilify discmelt,discmelt,aripiprazol,opc 31,aripiprazole usan,aripiprazolum,aripirazole
IUPAC Name 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
InChI Key CEUORZQYGODEFX-UHFFFAOYSA-N
Molecular Formula C23H27Cl2N3O2
3
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Thermo Scientific Chemicals Ciprofloxacin, 98%

CAS: 85721-33-1 Molecular Formula: C17H18FN3O3 Molecular Weight (g/mol): 331.34 InChI Key: MYSWGUAQZAJSOK-UHFFFAOYSA-N Synonym: ciprofloxacin,ciprofloxacine,ciprobay,ciproxan,ciprofloxacina,cipro,ciprofloxacino,ciprofloxacinum,cipro iv,bacquinor PubChem CID: 2764 ChEBI: CHEBI:100241 IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid SMILES: C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

PubChem CID 2764
CAS 85721-33-1
Molecular Weight (g/mol) 331.34
ChEBI CHEBI:100241
SMILES C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O
Synonym ciprofloxacin,ciprofloxacine,ciprobay,ciproxan,ciprofloxacina,cipro,ciprofloxacino,ciprofloxacinum,cipro iv,bacquinor
IUPAC Name 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
InChI Key MYSWGUAQZAJSOK-UHFFFAOYSA-N
Molecular Formula C17H18FN3O3
4

3-Quinolinecarboxylic acid, 98%

CAS: 6480-68-8 Molecular Formula: C10H7NO2 Molecular Weight (g/mol): 173.17 MDL Number: MFCD00006770 InChI Key: DJXNJVFEFSWHLY-UHFFFAOYSA-N Synonym: 3-quinolinecarboxylic acid,3-quinoline carboxylic acid,3-quinolinecarboxylicacid,pubchem7517,3-quinolylcarboxylic acid,acmc-1bfc6,3-quinolinecarboxylic acid 1g,3-quinolinecarboxylic acid, purum hplc,q3c PubChem CID: 80971 IUPAC Name: quinoline-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C=C(C=N2)C(=O)O

PubChem CID 80971
CAS 6480-68-8
Molecular Weight (g/mol) 173.17
MDL Number MFCD00006770
SMILES C1=CC=C2C(=C1)C=C(C=N2)C(=O)O
Synonym 3-quinolinecarboxylic acid,3-quinoline carboxylic acid,3-quinolinecarboxylicacid,pubchem7517,3-quinolylcarboxylic acid,acmc-1bfc6,3-quinolinecarboxylic acid 1g,3-quinolinecarboxylic acid, purum hplc,q3c
IUPAC Name quinoline-3-carboxylic acid
InChI Key DJXNJVFEFSWHLY-UHFFFAOYSA-N
Molecular Formula C10H7NO2
5

5,7-Dichlorokynurenic acid

CAS: 190908-40-8 Molecular Formula: C10H7Cl2NO4 Molecular Weight (g/mol): 276.069 MDL Number: MFCD11045951 InChI Key: READYYZXDSXRQJ-UHFFFAOYSA-N Synonym: 5,7-dichlorokynurenic acid monohydrate,dcka hydrate,c10h5cl2no3 hydrate,5,7-dichloro-4-hydroxyquinoline-2-carboxylic acid monohydrate,5,7-dichlorokynurenic acid monohydrate, solid hplc,2-quinolinecarboxylic acid, 5,7-dichloro-4-hydroxy-, monohydrate,2-quinolinecarboxylicacid, 5,7-dichloro-4-hydroxy-, hydrate 1:1,5,7-dichloro-4-oxo-1,4-dihydroquinoline-2-carboxylic acid-water 1/1 PubChem CID: 23723057 IUPAC Name: 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid;hydrate SMILES: C1=C(C=C2C(=C1Cl)C(=O)C=C(N2)C(=O)O)Cl.O

PubChem CID 23723057
CAS 190908-40-8
Molecular Weight (g/mol) 276.069
MDL Number MFCD11045951
SMILES C1=C(C=C2C(=C1Cl)C(=O)C=C(N2)C(=O)O)Cl.O
Synonym 5,7-dichlorokynurenic acid monohydrate,dcka hydrate,c10h5cl2no3 hydrate,5,7-dichloro-4-hydroxyquinoline-2-carboxylic acid monohydrate,5,7-dichlorokynurenic acid monohydrate, solid hplc,2-quinolinecarboxylic acid, 5,7-dichloro-4-hydroxy-, monohydrate,2-quinolinecarboxylicacid, 5,7-dichloro-4-hydroxy-, hydrate 1:1,5,7-dichloro-4-oxo-1,4-dihydroquinoline-2-carboxylic acid-water 1/1
IUPAC Name 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid;hydrate
InChI Key READYYZXDSXRQJ-UHFFFAOYSA-N
Molecular Formula C10H7Cl2NO4
6

Gatifloxacin, 98%, Thermo Scientific Chemicals

CAS: 112811-59-3 Molecular Formula: C19H22FN3O4 Molecular Weight (g/mol): 375.40 MDL Number: MFCD00895399 InChI Key: XUBOMFCQGDBHNK-UHFFFAOYNA-N Synonym: gatifloxacin,tequin,zymar,gatiflo,gatifloxacine,gatiquin,gatispan,gatilox,zymaxid,gaity PubChem CID: 5379 ChEBI: CHEBI:5280 IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid SMILES: COC1=C2N(C=C(C(O)=O)C(=O)C2=CC(F)=C1N1CCNC(C)C1)C1CC1

PubChem CID 5379
CAS 112811-59-3
Molecular Weight (g/mol) 375.40
ChEBI CHEBI:5280
MDL Number MFCD00895399
SMILES COC1=C2N(C=C(C(O)=O)C(=O)C2=CC(F)=C1N1CCNC(C)C1)C1CC1
Synonym gatifloxacin,tequin,zymar,gatiflo,gatifloxacine,gatiquin,gatispan,gatilox,zymaxid,gaity
IUPAC Name 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
InChI Key XUBOMFCQGDBHNK-UHFFFAOYNA-N
Molecular Formula C19H22FN3O4
7
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Oxolinic acid, 98%

CAS: 14698-29-4 Molecular Formula: C13H11NO5 Molecular Weight (g/mol): 261.23 MDL Number: MFCD00056775 InChI Key: KYGZCKSPAKDVKC-UHFFFAOYSA-N Synonym: oxolinic acid,nidantin,dioxacin,emyrenil,prodoxal,prodoxol,ossian,gramurin,oksaren,oxolinic PubChem CID: 4628 ChEBI: CHEBI:138856 IUPAC Name: 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid SMILES: CCN1C=C(C(O)=O)C(=O)C2=CC3=C(OCO3)C=C12

PubChem CID 4628
CAS 14698-29-4
Molecular Weight (g/mol) 261.23
ChEBI CHEBI:138856
MDL Number MFCD00056775
SMILES CCN1C=C(C(O)=O)C(=O)C2=CC3=C(OCO3)C=C12
Synonym oxolinic acid,nidantin,dioxacin,emyrenil,prodoxal,prodoxol,ossian,gramurin,oksaren,oxolinic
IUPAC Name 5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
InChI Key KYGZCKSPAKDVKC-UHFFFAOYSA-N
Molecular Formula C13H11NO5
8

3-Hydroxy-4-quinolinecarboxylic acid, 97%

CAS: 118-13-8 Molecular Formula: C10H7NO3 Molecular Weight (g/mol): 189.17 MDL Number: MFCD01536959 InChI Key: MXNVEJDRXSFZQB-UHFFFAOYSA-N Synonym: 3-hydroxy-4-quinolinecarboxylic acid,3-hydroxycinchoninic acid,cinchoninic acid, 3-hydroxy,3-hydroxy-quinoline-4-carboxylic acid,4-quinolinecarboxylic acid, 3-hydroxy,3-hydroxy-4-quinolinecarboxylicacid,3-hydroxycinchoninicacid,4-22-00-02296 beilstein handbook reference,4-quinolinecarboxylicacid,3-hydroxy,4-quinolinecarboxylicacid, 3-hydroxy PubChem CID: 8352 IUPAC Name: 3-hydroxyquinoline-4-carboxylic acid SMILES: OC(=O)C1=C2C=CC=CC2=NC=C1O

PubChem CID 8352
CAS 118-13-8
Molecular Weight (g/mol) 189.17
MDL Number MFCD01536959
SMILES OC(=O)C1=C2C=CC=CC2=NC=C1O
Synonym 3-hydroxy-4-quinolinecarboxylic acid,3-hydroxycinchoninic acid,cinchoninic acid, 3-hydroxy,3-hydroxy-quinoline-4-carboxylic acid,4-quinolinecarboxylic acid, 3-hydroxy,3-hydroxy-4-quinolinecarboxylicacid,3-hydroxycinchoninicacid,4-22-00-02296 beilstein handbook reference,4-quinolinecarboxylicacid,3-hydroxy,4-quinolinecarboxylicacid, 3-hydroxy
IUPAC Name 3-hydroxyquinoline-4-carboxylic acid
InChI Key MXNVEJDRXSFZQB-UHFFFAOYSA-N
Molecular Formula C10H7NO3
9

Quinoline-5-carboxylic acid, 97%

CAS: 7250-53-5 Molecular Formula: C10H7NO2 Molecular Weight (g/mol): 173.17 MDL Number: MFCD00047608 InChI Key: RAYMXZBXQCGRGX-UHFFFAOYSA-N Synonym: 5-quinolinecarboxylic acid,quinoline-5-carboxylicacid,quinoline-5-carboxylicacid,98+%,zlchem 983,pubchem19952,5-quinolinecarboxylicacid,acmc-209on5,ksc173e0j,5-quinolinecarboxylic acid 6ci,7ci,8ci,9ci,quinoline-5-carboxylicacidethylester;5-quinoline-carboxylic acid ethyl ester PubChem CID: 232489 IUPAC Name: quinoline-5-carboxylic acid SMILES: OC(=O)C1=C2C=CC=NC2=CC=C1

PubChem CID 232489
CAS 7250-53-5
Molecular Weight (g/mol) 173.17
MDL Number MFCD00047608
SMILES OC(=O)C1=C2C=CC=NC2=CC=C1
Synonym 5-quinolinecarboxylic acid,quinoline-5-carboxylicacid,quinoline-5-carboxylicacid,98+%,zlchem 983,pubchem19952,5-quinolinecarboxylicacid,acmc-209on5,ksc173e0j,5-quinolinecarboxylic acid 6ci,7ci,8ci,9ci,quinoline-5-carboxylicacidethylester;5-quinoline-carboxylic acid ethyl ester
IUPAC Name quinoline-5-carboxylic acid
InChI Key RAYMXZBXQCGRGX-UHFFFAOYSA-N
Molecular Formula C10H7NO2
10

2-Hydroxyquinoline, 98%

CAS: 59-31-4 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00006743 InChI Key: LISFMEBWQUVKPJ-UHFFFAOYSA-N Synonym: 2-hydroxyquinoline,2-quinolinol,quinolin-2-ol,carbostyril,2 1h-quinolinone,2-quinolone,quinolin-2 1h-one,quinolinol,quinolinone,alpha-quinolone PubChem CID: 6038 ChEBI: CHEBI:18289 IUPAC Name: 1H-quinolin-2-one SMILES: C1=CC=C2C(=C1)C=CC(=O)N2

PubChem CID 6038
CAS 59-31-4
Molecular Weight (g/mol) 145.16
ChEBI CHEBI:18289
MDL Number MFCD00006743
SMILES C1=CC=C2C(=C1)C=CC(=O)N2
Synonym 2-hydroxyquinoline,2-quinolinol,quinolin-2-ol,carbostyril,2 1h-quinolinone,2-quinolone,quinolin-2 1h-one,quinolinol,quinolinone,alpha-quinolone
IUPAC Name 1H-quinolin-2-one
InChI Key LISFMEBWQUVKPJ-UHFFFAOYSA-N
Molecular Formula C9H7NO
11

3-Amino-1-bromoisoquinoline, 97%

CAS: 13130-79-5 Molecular Formula: C9H7BrN2 Molecular Weight (g/mol): 223.07 InChI Key: PSQUIUNIVDKHJK-UHFFFAOYSA-N Synonym: 3-amino-1-bromoisoquinoline,1-bromo-3-isoquinolinamine,1-bromoisoquinolin-3-ylamine,1-bromo-3-isoquinolylamine,3-amino-1-bromo-isoquinoline,1-bromoisoquinoline-3-amine,acmc-1by0f,1-bromo-3-aminoisoquinoline,1-bromanylisoquinolin-3-amine,3-isoquinolinamine, 1-bromo PubChem CID: 289845 IUPAC Name: 1-bromoisoquinolin-3-amine SMILES: C1=CC=C2C(=C1)C=C(N=C2Br)N

PubChem CID 289845
CAS 13130-79-5
Molecular Weight (g/mol) 223.07
SMILES C1=CC=C2C(=C1)C=C(N=C2Br)N
Synonym 3-amino-1-bromoisoquinoline,1-bromo-3-isoquinolinamine,1-bromoisoquinolin-3-ylamine,1-bromo-3-isoquinolylamine,3-amino-1-bromo-isoquinoline,1-bromoisoquinoline-3-amine,acmc-1by0f,1-bromo-3-aminoisoquinoline,1-bromanylisoquinolin-3-amine,3-isoquinolinamine, 1-bromo
IUPAC Name 1-bromoisoquinolin-3-amine
InChI Key PSQUIUNIVDKHJK-UHFFFAOYSA-N
Molecular Formula C9H7BrN2
12

6-Aminoquinoline, 98%

CAS: 580-15-4 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.18 InChI Key: RJSRSRITMWVIQT-UHFFFAOYSA-N Synonym: 6-aminoquinoline,6-quinolinamine,quinoline, 6-amino,quinolin-6-ylamine,6-quinolylamine,ccris 1681,6 aminoquinoline,3kqp,6-amino quinoline,quinoline-6-amine PubChem CID: 11373 IUPAC Name: quinolin-6-amine SMILES: C1=CC2=C(C=CC(=C2)N)N=C1

PubChem CID 11373
CAS 580-15-4
Molecular Weight (g/mol) 144.18
SMILES C1=CC2=C(C=CC(=C2)N)N=C1
Synonym 6-aminoquinoline,6-quinolinamine,quinoline, 6-amino,quinolin-6-ylamine,6-quinolylamine,ccris 1681,6 aminoquinoline,3kqp,6-amino quinoline,quinoline-6-amine
IUPAC Name quinolin-6-amine
InChI Key RJSRSRITMWVIQT-UHFFFAOYSA-N
Molecular Formula C9H8N2
14

6-Quinolinecarboxylic Acid, 98%

CAS: 10349-57-2 Molecular Formula: C10H7NO2 Molecular Weight (g/mol): 173.17 MDL Number: MFCD00047613 InChI Key: VXGYRCVTBHVXMZ-UHFFFAOYSA-N Synonym: 6-quinolinecarboxylic acid,pubchem7578,quinoline-6-carboylic acid,quinolin-6-carboxylic acid,6-quinoline carboxylic acid,6-quinoline-carboxylic acid,ksc177e5h,vxgyrcvtbhvxmz-uhfffaoysa,2-3-cyclopentyl-2-oxo-2,3-dihydro-1h-imidazo 4,5-b pyridin-1-yl-n-2,3-dihydro-1,4-benzodioxin-6-yl acetamide PubChem CID: 82571 IUPAC Name: quinoline-6-carboxylic acid SMILES: C1=CC2=C(C=CC(=C2)C(=O)O)N=C1

PubChem CID 82571
CAS 10349-57-2
Molecular Weight (g/mol) 173.17
MDL Number MFCD00047613
SMILES C1=CC2=C(C=CC(=C2)C(=O)O)N=C1
Synonym 6-quinolinecarboxylic acid,pubchem7578,quinoline-6-carboylic acid,quinolin-6-carboxylic acid,6-quinoline carboxylic acid,6-quinoline-carboxylic acid,ksc177e5h,vxgyrcvtbhvxmz-uhfffaoysa,2-3-cyclopentyl-2-oxo-2,3-dihydro-1h-imidazo 4,5-b pyridin-1-yl-n-2,3-dihydro-1,4-benzodioxin-6-yl acetamide
IUPAC Name quinoline-6-carboxylic acid
InChI Key VXGYRCVTBHVXMZ-UHFFFAOYSA-N
Molecular Formula C10H7NO2
15

N-Ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline, 99+%

CAS: 16357-59-8 Molecular Formula: C14H17NO3 Molecular Weight (g/mol): 247.29 MDL Number: MFCD00006703 InChI Key: GKQLYSROISKDLL-UHFFFAOYNA-N Synonym: eedq,2-ethoxy-1-ethoxycarbonyl-1,2-dihydroquinoline,n-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline,ethyl 2-ethoxyquinoline-1 2h-carboxylate,1-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline,2-ethoxy-1 2h-quinolinecarboxylic acid, ethyl ester,1 2h-quinolinecarboxylic acid, 2-ethoxy-, ethyl ester,ethyl 2-ethoxy-1,2-dihydroquinoline-1-carboxylate,ethyl 1,2-dihydro-2-ethoxy-1-quinolinecarboxylate,ethyl n-2-ethoxy-1,2-dihydroquinoline carboxylate PubChem CID: 27833 IUPAC Name: ethyl 2-ethoxy-2H-quinoline-1-carboxylate SMILES: CCOC1C=CC2=CC=CC=C2N1C(=O)OCC

PubChem CID 27833
CAS 16357-59-8
Molecular Weight (g/mol) 247.29
MDL Number MFCD00006703
SMILES CCOC1C=CC2=CC=CC=C2N1C(=O)OCC
Synonym eedq,2-ethoxy-1-ethoxycarbonyl-1,2-dihydroquinoline,n-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline,ethyl 2-ethoxyquinoline-1 2h-carboxylate,1-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline,2-ethoxy-1 2h-quinolinecarboxylic acid, ethyl ester,1 2h-quinolinecarboxylic acid, 2-ethoxy-, ethyl ester,ethyl 2-ethoxy-1,2-dihydroquinoline-1-carboxylate,ethyl 1,2-dihydro-2-ethoxy-1-quinolinecarboxylate,ethyl n-2-ethoxy-1,2-dihydroquinoline carboxylate
IUPAC Name ethyl 2-ethoxy-2H-quinoline-1-carboxylate
InChI Key GKQLYSROISKDLL-UHFFFAOYNA-N
Molecular Formula C14H17NO3