1-(4-fluoro-2-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline

C19H17FN2O3S — CID 20996456

IUPAC1-(4-fluoro-2-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(F)cc1C)CC3
InChIInChI=1S/C19H17FN2O3S/c1-12-9-15(20)4-6-18(12)26(23,24)22-8-7-14-10-13-3-5-16(25-2)11-17(13)21-19(14)22/h3-6,9-11H,7-8H2,1-2H3
InChIKeyHUBUFKVOCDDMSW-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.44
Rot. Bonds3

About 1-(4-fluoro-2-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline

1-(4-fluoro-2-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 20996456) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID20996456
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name1-(4-fluoro-2-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(F)cc1C)CC3
InChIInChI=1S/C19H17FN2O3S/c1-12-9-15(20)4-6-18(12)26(23,24)22-8-7-14-10-13-3-5-16(25-2)11-17(13)21-19(14)22/h3-6,9-11H,7-8H2,1-2H3
InChIKeyHUBUFKVOCDDMSW-UHFFFAOYSA-N
XLogP3.44
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-Fluorophenyl)-1-piperazinyl]-7-methoxy-4-methylquinoline
CID 1368209
N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N'-(4-methoxyquinolin-2-yl)propane-1,3-diamine
CID 10185400
1-(4-methoxybenzyl)-3-(phenylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2001676
1-(4-methoxyphenethyl)-3-(phenylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2014189
N-(4-methoxybenzyl)-6-(piperidin-1-ylsulfonyl)quinolin-2-amine
CID 16024728
N-(3-methoxyphenyl)-6-[(4-methylpiperidin-1-yl)sulfonyl]quinolin-2-amine
CID 16024788
4-fluoro-N-[3-[5-methoxy-2-(oxan-4-ylmethyl)anilino]quinoxalin-2-yl]benzenesulfonamide
CID 24993115
N-[3-[2-(cyclohexylmethyl)-5-methoxyanilino]quinoxalin-2-yl]-4-[(dimethylamino)methyl]benzenesulfonamide
CID 24995945
4-fluoro-N-[3-[5-methoxy-2-[(4-methylpiperazin-1-yl)methyl]anilino]quinoxalin-2-yl]benzenesulfonamide
CID 24996271
1-(2-methoxybenzyl)-3-(phenylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2016143
1-(4-Methoxy-benzenesulfonyl)-3-[2-(4-methoxy-phenyl)-ethyl]-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 5218300
N-(3,4-dimethoxyphenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
CID 16024854

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline (CID 20996456) is 1-(4-fluoro-2-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline is COc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(F)cc1C)CC3.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is HUBUFKVOCDDMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-12-9-15(20)4-6-18(12)26(23,24)22-8-7-14-10-13-3-5-16(25-2)11-17(13)21-19(14)22/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline?
1-(4-fluoro-2-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 372.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)sulfonyl-7-methoxy-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 20996456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).