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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 – 14 of 14 results
1

Imiquimod, 99%

CAS: 99011-02-6 Molecular Formula: C14H16N4 Molecular Weight (g/mol): 240.31 MDL Number: MFCD00866946 InChI Key: DOUYETYNHWVLEO-UHFFFAOYSA-N Synonym: imiquimod,aldara,zyclara,beselna,1-2-methylpropyl-1h-imidazo 4,5-c quinolin-4-amine,zartra,imiquimod acetate,1-isobutyl-1h-imidazo 4,5-c quinolin-4-amine,4-amino-1-isobutyl-1h-imidazo 4,5-c quinoline PubChem CID: 57469 ChEBI: CHEBI:36704 IUPAC Name: 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine SMILES: CC(C)CN1C=NC2=C1C1=CC=CC=C1N=C2N

PubChem CID 57469
CAS 99011-02-6
Molecular Weight (g/mol) 240.31
ChEBI CHEBI:36704
MDL Number MFCD00866946
SMILES CC(C)CN1C=NC2=C1C1=CC=CC=C1N=C2N
Synonym imiquimod,aldara,zyclara,beselna,1-2-methylpropyl-1h-imidazo 4,5-c quinolin-4-amine,zartra,imiquimod acetate,1-isobutyl-1h-imidazo 4,5-c quinolin-4-amine,4-amino-1-isobutyl-1h-imidazo 4,5-c quinoline
IUPAC Name 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
InChI Key DOUYETYNHWVLEO-UHFFFAOYSA-N
Molecular Formula C14H16N4
2

Thermo Scientific Chemicals Indacaterol maleate

CAS: 753498-25-8 Molecular Formula: C28H32N2O7 Molecular Weight (g/mol): 508.57 MDL Number: MFCD20526769,MFCD18782702 InChI Key: IREJFXIHXRZFER-UHFFFAOYNA-N IUPAC Name: 5-{2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl}-8-hydroxy-1,2-dihydroquinolin-2-one; but-2-enedioic acid SMILES: OC(=O)C=CC(O)=O.CCC1=C(CC)C=C2CC(CC2=C1)NCC(O)C1=C2C=CC(=O)NC2=C(O)C=C1

CAS 753498-25-8
Molecular Weight (g/mol) 508.57
MDL Number MFCD20526769,MFCD18782702
SMILES OC(=O)C=CC(O)=O.CCC1=C(CC)C=C2CC(CC2=C1)NCC(O)C1=C2C=CC(=O)NC2=C(O)C=C1
IUPAC Name 5-{2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl}-8-hydroxy-1,2-dihydroquinolin-2-one; but-2-enedioic acid
InChI Key IREJFXIHXRZFER-UHFFFAOYNA-N
Molecular Formula C28H32N2O7
3

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

6(5H)-Phenanthridinone, 96%

CAS: 1015-89-0 Molecular Formula: C13H9NO Molecular Weight (g/mol): 195.221 MDL Number: MFCD00004988 InChI Key: RZFVLEJOHSLEFR-UHFFFAOYSA-N Synonym: 6 5h-phenanthridinone,phenanthridin-6 5h-one,6-phenanthridinol,phenanthridone,6-5h-phenanthridinone,6-phenanthridone,6-phenanthridinone,6 5h-phenanthridone,phenanthridin-6-ol,phenantridone PubChem CID: 1853 ChEBI: CHEBI:75292 IUPAC Name: 5H-phenanthridin-6-one SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3NC2=O

PubChem CID 1853
CAS 1015-89-0
Molecular Weight (g/mol) 195.221
ChEBI CHEBI:75292
MDL Number MFCD00004988
SMILES C1=CC=C2C(=C1)C3=CC=CC=C3NC2=O
Synonym 6 5h-phenanthridinone,phenanthridin-6 5h-one,6-phenanthridinol,phenanthridone,6-5h-phenanthridinone,6-phenanthridone,6-phenanthridinone,6 5h-phenanthridone,phenanthridin-6-ol,phenantridone
IUPAC Name 5H-phenanthridin-6-one
InChI Key RZFVLEJOHSLEFR-UHFFFAOYSA-N
Molecular Formula C13H9NO
5

(+)-Quinidine

CAS: 56-54-2 Molecular Formula: C20H24N2O2 Molecular Weight (g/mol): 324.42 MDL Number: MFCD00135581,MFCD00198096 InChI Key: LOUPRKONTZGTKE-LHHVKLHASA-N Synonym: quinidine,+-quinidine,chinidin,pitayine,cin-quin,8r,9s-quinidine,conquinine,conchinin,quinidex,conchinine PubChem CID: 441074 ChEBI: CHEBI:28593 IUPAC Name: (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol SMILES: COC1=CC=C2N=CC=C([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)C2=C1

PubChem CID 441074
CAS 56-54-2
Molecular Weight (g/mol) 324.42
ChEBI CHEBI:28593
MDL Number MFCD00135581,MFCD00198096
SMILES COC1=CC=C2N=CC=C([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)C2=C1
Synonym quinidine,+-quinidine,chinidin,pitayine,cin-quin,8r,9s-quinidine,conquinine,conchinin,quinidex,conchinine
IUPAC Name (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
InChI Key LOUPRKONTZGTKE-LHHVKLHASA-N
Molecular Formula C20H24N2O2
6

Chelerythrine chloride, 99+%

CAS: 3895-92-9 Molecular Formula: C21H18ClNO4 Molecular Weight (g/mol): 383.83 MDL Number: MFCD00060717 InChI Key: WEEFNMFMNMASJY-UHFFFAOYSA-M Synonym: chelerythrine chloride,chelerythrine hydrochloride,chelerythrinechloride,unii-7ic98tz0pz,1,2-dimethoxy-12-methyl-1,3 dioxolo 4',5':4,5 benzo 1,2-c phenanthridin-12-ium chloride,chelerythrine, chloride,7ic98tz0pz,1,2-dimethoxy-n-methyl-1,3-benzodioxolo 5,6c phenanthridinium,1,2-dimethoxy-12-methyl 1,3 benzodioxolo 5,6-c phenanthridinium chloride PubChem CID: 72311 SMILES: [Cl-].COC1=CC=C2C(C=[N+](C)C3=C2C=CC2=CC4=C(OCO4)C=C32)=C1OC

PubChem CID 72311
CAS 3895-92-9
Molecular Weight (g/mol) 383.83
MDL Number MFCD00060717
SMILES [Cl-].COC1=CC=C2C(C=[N+](C)C3=C2C=CC2=CC4=C(OCO4)C=C32)=C1OC
Synonym chelerythrine chloride,chelerythrine hydrochloride,chelerythrinechloride,unii-7ic98tz0pz,1,2-dimethoxy-12-methyl-1,3 dioxolo 4',5':4,5 benzo 1,2-c phenanthridin-12-ium chloride,chelerythrine, chloride,7ic98tz0pz,1,2-dimethoxy-n-methyl-1,3-benzodioxolo 5,6c phenanthridinium,1,2-dimethoxy-12-methyl 1,3 benzodioxolo 5,6-c phenanthridinium chloride
InChI Key WEEFNMFMNMASJY-UHFFFAOYSA-M
Molecular Formula C21H18ClNO4
7

Phenanthridine, 98%

CAS: 229-87-8 Molecular Formula: C13H9N Molecular Weight (g/mol): 179.22 MDL Number: MFCD00004989 InChI Key: RDOWQLZANAYVLL-UHFFFAOYSA-N Synonym: 6-phenanthridine,benzo c quinoline,3,4-benzoquinoline,9-azaphenanthrene,3,4-benzoisoquinoline,5-azaphenanthrene,unii-62qgs7cps6,ccris 1234,62qgs7cps6 PubChem CID: 9189 ChEBI: CHEBI:36421 IUPAC Name: phenanthridine SMILES: C1=CC=C2C(=C1)C=NC3=CC=CC=C23

PubChem CID 9189
CAS 229-87-8
Molecular Weight (g/mol) 179.22
ChEBI CHEBI:36421
MDL Number MFCD00004989
SMILES C1=CC=C2C(=C1)C=NC3=CC=CC=C23
Synonym 6-phenanthridine,benzo c quinoline,3,4-benzoquinoline,9-azaphenanthrene,3,4-benzoisoquinoline,5-azaphenanthrene,unii-62qgs7cps6,ccris 1234,62qgs7cps6
IUPAC Name phenanthridine
InChI Key RDOWQLZANAYVLL-UHFFFAOYSA-N
Molecular Formula C13H9N
8

IOX1, MedChemExpress

MedChemExpress IOX1, 5-Carboxy-8-hydroxyquinoline, is a potent broad‐spectrum inhibitor of 2OG oxygenases, including the JmjC demethylases. IOX1 inhibits KDM4C, KDM4E, KDM2A, KDM3A and KDM6B with IC50 values of 0.6 μM, 2.3 μM, 1.8 μM, 0.1 μM and 1.4 μM, respectively. IOX1 also inhibits ALKBH5.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 189.17
Color Off-White
Physical Form Solid
Chemical Name or Material IOX1
Grade Research
SMILES O=C(C1=C2C=CC=NC2=C(O)C=C1)O
For Use With (Application) Cancer-programmed cell death
Percent Purity 98.38%
CAS 5852-78-8
Solubility Information DMSO : 13.33 mg/mL (70.47 mM; Need ultrasonic and warming)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C10H7NO3
Formula Weight 189.17
9

Silmitasertib, MedChemExpress

MedChemExpress Silmitasertib (CX-4945) is an orally bioavailable, highly selective and potent CK2 inhibitor, with IC50 values of 1 nM against CK2α and CK2α'.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 349.77
Color Yellow
Physical Form Solid
Chemical Name or Material Silmitasertib
Grade Research
SMILES O=C(C1=CC=C2C3=C(C(NC4=CC=CC(Cl)=C4)=NC2=C1)C=CN=C3)O
For Use With (Application) Cancer-Kinase/protease
Percent Purity 96.55%
CAS 1009820-21-6
Solubility Information DMSO : ≥ 35 mg/mL (100.07 mM) ∣0.1 M NaOH : 33.33 mg/mL (95.29 mM; ultrasonic and adjust pH to 9 with NaOH)
Health Hazard 1 H302∣H315∣H319∣H332∣H335
Synonym CX-4945
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C19H12ClN3O2
Formula Weight 349.77
10

1,1'-Diethyl-2,2'-cyanine iodide, 97%

CAS: 977-96-8 Molecular Formula: C23H23IN2 Molecular Weight (g/mol): 454.355 MDL Number: MFCD00011971 InChI Key: GMYRVMSXMHEDTL-UHFFFAOYSA-M Synonym: decynium 22 PubChem CID: 71299759 ChEBI: CHEBI:37993 IUPAC Name: (2Z)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline;iodide SMILES: CCN1C(=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.[I-]

PubChem CID 71299759
CAS 977-96-8
Molecular Weight (g/mol) 454.355
ChEBI CHEBI:37993
MDL Number MFCD00011971
SMILES CCN1C(=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.[I-]
Synonym decynium 22
IUPAC Name (2Z)-1-ethyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]quinoline;iodide
InChI Key GMYRVMSXMHEDTL-UHFFFAOYSA-M
Molecular Formula C23H23IN2
11

Thermo Scientific Chemicals Sildenafil

CAS: 139755-83-2 Molecular Formula: C22H30N6O4S Molecular Weight (g/mol): 474.58 InChI Key: BNRNXUUZRGQAQC-UHFFFAOYSA-N IUPAC Name: 5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-7-one SMILES: CCCC1=NN(C)C2=C1NC(=NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1

CAS 139755-83-2
Molecular Weight (g/mol) 474.58
SMILES CCCC1=NN(C)C2=C1NC(=NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(C)CC1
IUPAC Name 5-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-1-methyl-3-propyl-1H,4H,7H-pyrazolo[4,3-d]pyrimidin-7-one
InChI Key BNRNXUUZRGQAQC-UHFFFAOYSA-N
Molecular Formula C22H30N6O4S
12

5,7-Dichlorokynurenic acid sodium salt, Thermo Scientific™

CAS: 1184986-70-6 Molecular Formula: C10H4Cl2NNaO3 Molecular Weight (g/mol): 280.036 MDL Number: MFCD00674925 InChI Key: VPRPMJHKWHCUFW-UHFFFAOYSA-M Synonym: 5,7-dichlorokynurenic acid sodium salt,sodium 5,7-dichloro-4-hydroxyquinoline-2-carboxylate,potassium 5,7-dichloro-4-hydroxyquinoline-2-carboxylate,5,7-dichloro-4-hydroxyquinoline-2-carboxylic acid sodium salt PubChem CID: 44134672 IUPAC Name: sodium;5,7-dichloro-4-oxo-1H-quinoline-2-carboxylate SMILES: C1=C(C=C2C(=C1Cl)C(=O)C=C(N2)C(=O)[O-])Cl.[Na+]

PubChem CID 44134672
CAS 1184986-70-6
Molecular Weight (g/mol) 280.036
MDL Number MFCD00674925
SMILES C1=C(C=C2C(=C1Cl)C(=O)C=C(N2)C(=O)[O-])Cl.[Na+]
Synonym 5,7-dichlorokynurenic acid sodium salt,sodium 5,7-dichloro-4-hydroxyquinoline-2-carboxylate,potassium 5,7-dichloro-4-hydroxyquinoline-2-carboxylate,5,7-dichloro-4-hydroxyquinoline-2-carboxylic acid sodium salt
IUPAC Name sodium;5,7-dichloro-4-oxo-1H-quinoline-2-carboxylate
InChI Key VPRPMJHKWHCUFW-UHFFFAOYSA-M
Molecular Formula C10H4Cl2NNaO3
13

5,7-Dichloro-8-hydroxyquinoline, 98%

CAS: 773-76-2 Molecular Formula: C9H5Cl2NO Molecular Weight (g/mol): 214.05 MDL Number: MFCD00006786 InChI Key: WDFKMLRRRCGAKS-UHFFFAOYSA-N Synonym: chloroxine,5,7-dichloro-8-hydroxyquinoline,chlorquinol,capitrol,dichloroxin,quixalin,chloroxyquinoline,dichloroquinolinol,dikhloroskin,5,7-dichloro-8-quinolinol PubChem CID: 2722 ChEBI: CHEBI:59477 IUPAC Name: 5,7-dichloroquinolin-8-ol SMILES: C1=CC2=C(C(=C(C=C2Cl)Cl)O)N=C1

PubChem CID 2722
CAS 773-76-2
Molecular Weight (g/mol) 214.05
ChEBI CHEBI:59477
MDL Number MFCD00006786
SMILES C1=CC2=C(C(=C(C=C2Cl)Cl)O)N=C1
Synonym chloroxine,5,7-dichloro-8-hydroxyquinoline,chlorquinol,capitrol,dichloroxin,quixalin,chloroxyquinoline,dichloroquinolinol,dikhloroskin,5,7-dichloro-8-quinolinol
IUPAC Name 5,7-dichloroquinolin-8-ol
InChI Key WDFKMLRRRCGAKS-UHFFFAOYSA-N
Molecular Formula C9H5Cl2NO
14

(S)-(-)-9,10-Difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 97+%, Thermo Scientific™

CAS: 100986-89-8 Molecular Formula: C13H9F2NO4 Molecular Weight (g/mol): 281.215 MDL Number: MFCD04039905 InChI Key: NVKWWNNJFKZNJO-YFKPBYRVSA-N Synonym: levofloxacin q-acid,levofloxacin carboxylic acid,s-9,10-difluoro-3-methyl-7-oxo-3,7-dihydro-2h-1,4 oxazino 2,3,4-ij quinoline-6-carboxylic acid,unii-08gt8fy84e,levofloxacin related compound b,levofloxacin acid,3s-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido 1,2,3-de-1,4-benzoxazine-6-carboxylic acid,levofloxacin q-acid,-,s-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7h-pyrido 1,2,3-de-1,4-benzoxazine-6-carboxylic acid,levofloxacin related compound b usp PubChem CID: 688333 SMILES: CC1COC2=C3N1C=C(C(=O)C3=CC(=C2F)F)C(=O)O

PubChem CID 688333
CAS 100986-89-8
Molecular Weight (g/mol) 281.215
MDL Number MFCD04039905
SMILES CC1COC2=C3N1C=C(C(=O)C3=CC(=C2F)F)C(=O)O
Synonym levofloxacin q-acid,levofloxacin carboxylic acid,s-9,10-difluoro-3-methyl-7-oxo-3,7-dihydro-2h-1,4 oxazino 2,3,4-ij quinoline-6-carboxylic acid,unii-08gt8fy84e,levofloxacin related compound b,levofloxacin acid,3s-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido 1,2,3-de-1,4-benzoxazine-6-carboxylic acid,levofloxacin q-acid,-,s-9,10-difluoro-3-methyl-7-oxo-2,3-dihydro-7h-pyrido 1,2,3-de-1,4-benzoxazine-6-carboxylic acid,levofloxacin related compound b usp
InChI Key NVKWWNNJFKZNJO-YFKPBYRVSA-N
Molecular Formula C13H9F2NO4