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

C19H18N2O3S — CID 20996201

IUPAC1-(4-methoxy-2-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc(S(=O)(=O)N2CCc3cc4ccccc4nc32)c(C)c1
InChIInChI=1S/C19H18N2O3S/c1-13-11-16(24-2)7-8-18(13)25(22,23)21-10-9-15-12-14-5-3-4-6-17(14)20-19(15)21/h3-8,11-12H,9-10H2,1-2H3
InChIKeyFBIQCQMFTVQWLM-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.30
Rot. Bonds3

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

1-(4-methoxy-2-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 20996201) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID20996201
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name1-(4-methoxy-2-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc(S(=O)(=O)N2CCc3cc4ccccc4nc32)c(C)c1
InChIInChI=1S/C19H18N2O3S/c1-13-11-16(24-2)7-8-18(13)25(22,23)21-10-9-15-12-14-5-3-4-6-17(14)20-19(15)21/h3-8,11-12H,9-10H2,1-2H3
InChIKeyFBIQCQMFTVQWLM-UHFFFAOYSA-N
XLogP3.30
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxy-2-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-quinolinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 2813161
N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N'-(4-methoxyquinolin-2-yl)propane-1,3-diamine
CID 10185400
9-(4-methoxyphenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
CID 16222548
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolo[2,3-c]pyridin-7-amine
CID 58149816
N-[3-(3-Cyano-6-ethoxy-quinolin-2-ylamino)-propyl]-benzenesulfonamide
CID 652032
N-[2-(3-Cyano-6-ethoxy-quinolin-2-ylamino)-ethyl]-benzenesulfonamide
CID 653027
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
1-Benzenesulfonyl-3-[2-(3,4-dimethoxy-phenyl)-ethyl]-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2021230
1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-3-(4-methoxy-benzenesulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2044098
N-[3-(3-Cyano-6-ethoxy-quinolin-2-ylamino)-propyl]-4-methyl-benzenesulfonamide
CID 3221651
N-(4-methoxybenzyl)-6-(piperidin-1-ylsulfonyl)quinolin-2-amine
CID 16024728

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline (CID 20996201) is 1-(4-methoxy-2-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline is COc1ccc(S(=O)(=O)N2CCc3cc4ccccc4nc32)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is FBIQCQMFTVQWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-13-11-16(24-2)7-8-18(13)25(22,23)21-10-9-15-12-14-5-3-4-6-17(14)20-19(15)21/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
1-(4-methoxy-2-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 354.43 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 20996201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).