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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

(S)-(-)-Blebbistatin, TRC

CAS: 856925-71-8 Molecular Formula: C18 H16 N2 O2 Molecular Weight (g/mol): 292.33 Synonym: 4H-Pyrrolo[2,3-b]quinolin-4-one, 1,2,3,3a-tetrahydro-3a-hydroxy-6-methyl-1-phenyl-, (3aS)-,(3aS)-1,2,3,3a-Tetrahydro-3a-hydroxy-6-methyl-1-phenyl-4H-pyrrolo[2,3-b]quinolin-4-one,(-)-Blebbistatin,(S)-(-)-Blebbistatin IUPAC Name: (3aS)-3a-hydroxy-6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one SMILES: Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c4ccccc4

CAS 856925-71-8
Molecular Weight (g/mol) 292.33
SMILES Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c4ccccc4
Synonym 4H-Pyrrolo[2,3-b]quinolin-4-one, 1,2,3,3a-tetrahydro-3a-hydroxy-6-methyl-1-phenyl-, (3aS)-,(3aS)-1,2,3,3a-Tetrahydro-3a-hydroxy-6-methyl-1-phenyl-4H-pyrrolo[2,3-b]quinolin-4-one,(-)-Blebbistatin,(S)-(-)-Blebbistatin
IUPAC Name (3aS)-3a-hydroxy-6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
Molecular Formula C18 H16 N2 O2
2
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Quinine, 98+%, anhydrous

CAS: 130-95-0 Molecular Formula: C20H24N2O2 Molecular Weight (g/mol): 324.42 MDL Number: MFCD00198096 InChI Key: LOUPRKONTZGTKE-ZCXAXGJJNA-N Synonym: 1r-6-methoxyquinolin-4-yl 1s,4s,5r-5-vinylquinuclidin-2-yl methanol,quinine anhydrous,+-2,3-o-isopropylidene-l-threitol PubChem CID: 129316724 IUPAC Name: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-(trideuteriomethoxy)quinolin-4-yl]methanol SMILES: [H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C

EDGE
PubChem CID 129316724
CAS 130-95-0
Molecular Weight (g/mol) 324.42
MDL Number MFCD00198096
SMILES [H][C@@]1(CN2CCC1C[C@@]2([H])[C@H](O)C1=C2C=C(OC)C=CC2=NC=C1)C=C
Synonym 1r-6-methoxyquinolin-4-yl 1s,4s,5r-5-vinylquinuclidin-2-yl methanol,quinine anhydrous,+-2,3-o-isopropylidene-l-threitol
IUPAC Name (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-[6-(trideuteriomethoxy)quinolin-4-yl]methanol
InChI Key LOUPRKONTZGTKE-ZCXAXGJJNA-N
Molecular Formula C20H24N2O2
4

(+)-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
5

Quinidine, 98%, anhydrous

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 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
InChI Key LOUPRKONTZGTKE-LHHVKLHASA-N
Molecular Formula C20H24N2O2
6

Acriflavine hydrochloride

CAS: 69235-50-3 Molecular Formula: C27H27Cl3N6 Molecular Weight (g/mol): 541.91 MDL Number: MFCD00069039 InChI Key: MKLTXAHQKDVBLY-UHFFFAOYSA-N Synonym: unii-1s73vw819c,acrifiavine hydrochloride,3,6-diamino-10-methylacridine proflavine trihydrochloride chloride,acriflavinehydrochloride mixtureof3,6-diamino-10-methylacridiniumchloridehydrochlorideand3,6-diaminoacridinehydrochloride PubChem CID: 53393742 IUPAC Name: acridine-3,6-diamine;10-methylacridin-10-ium-3,6-diamine;chloride;trihydrochloride SMILES: Cl.Cl.[Cl-].NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1.C[N+]1=C2C=C(N)C=CC2=CC2=CC=C(N)C=C12

PubChem CID 53393742
CAS 69235-50-3
Molecular Weight (g/mol) 541.91
MDL Number MFCD00069039
SMILES Cl.Cl.[Cl-].NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1.C[N+]1=C2C=C(N)C=CC2=CC2=CC=C(N)C=C12
Synonym unii-1s73vw819c,acrifiavine hydrochloride,3,6-diamino-10-methylacridine proflavine trihydrochloride chloride,acriflavinehydrochloride mixtureof3,6-diamino-10-methylacridiniumchloridehydrochlorideand3,6-diaminoacridinehydrochloride
IUPAC Name acridine-3,6-diamine;10-methylacridin-10-ium-3,6-diamine;chloride;trihydrochloride
InChI Key MKLTXAHQKDVBLY-UHFFFAOYSA-N
Molecular Formula C27H27Cl3N6
7

8-Hydroxyquinoline-5-sulfonic acid monohydrate, 98%

CAS: 283158-18-9 InChI Key: WUXYGIQVWKDVTJ-UHFFFAOYSA-N Synonym: 8-hydroxyquinoline-5-sulfonic acid hydrate,8-hydroxy-5-quinolinesulfonic acid monohydrate,8-hydroxyquinoline-5-sulfonic acid monohydrate,unii-n85kc14z44,8-hydroxy-5-quinolinesulfonic acid hydrate,5-quinolinesulfonicacid, 8-hydroxy-, hydrate 1:1,8-hydroxyquinoline-5-sulfonic acid, hydrate,acmc-209pxa,dsstox_cid_24317,dsstox_rid_80150 PubChem CID: 2723649 IUPAC Name: 8-hydroxyquinoline-5-sulfonic acid;hydrate SMILES: C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)O.O

PubChem CID 2723649
CAS 283158-18-9
SMILES C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)O.O
Synonym 8-hydroxyquinoline-5-sulfonic acid hydrate,8-hydroxy-5-quinolinesulfonic acid monohydrate,8-hydroxyquinoline-5-sulfonic acid monohydrate,unii-n85kc14z44,8-hydroxy-5-quinolinesulfonic acid hydrate,5-quinolinesulfonicacid, 8-hydroxy-, hydrate 1:1,8-hydroxyquinoline-5-sulfonic acid, hydrate,acmc-209pxa,dsstox_cid_24317,dsstox_rid_80150
IUPAC Name 8-hydroxyquinoline-5-sulfonic acid;hydrate
InChI Key WUXYGIQVWKDVTJ-UHFFFAOYSA-N
8
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Thermo Scientific Chemicals Cinchonine, 99%

CAS: 118-10-5 Molecular Formula: C19H22N2O Molecular Weight (g/mol): 294.40 MDL Number: MFCD00064372 InChI Key: KMPWYEUPVWOPIM-FRYPIZGFNA-N Synonym: +-quinolin-4-yl 5-vinylquinuclidin-2-yl methanol,5r-5-vinylquinuclidin-2-yl 1s-4-quinolylmethan-1-ol PubChem CID: 21862290 IUPAC Name: [(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol SMILES: [H][C@@]1(CN2CCC1C[C@]2([H])[C@@H](O)C1=CC=NC2=CC=CC=C12)C=C

PubChem CID 21862290
CAS 118-10-5
Molecular Weight (g/mol) 294.40
MDL Number MFCD00064372
SMILES [H][C@@]1(CN2CCC1C[C@]2([H])[C@@H](O)C1=CC=NC2=CC=CC=C12)C=C
Synonym +-quinolin-4-yl 5-vinylquinuclidin-2-yl methanol,5r-5-vinylquinuclidin-2-yl 1s-4-quinolylmethan-1-ol
IUPAC Name [(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
InChI Key KMPWYEUPVWOPIM-FRYPIZGFNA-N
Molecular Formula C19H22N2O
9

(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