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

C19H18N2O3S — CID 20996448

IUPAC7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(C)cc1)CC3
InChIInChI=1S/C19H18N2O3S/c1-13-3-7-17(8-4-13)25(22,23)21-10-9-15-11-14-5-6-16(24-2)12-18(14)20-19(15)21/h3-8,11-12H,9-10H2,1-2H3
InChIKeyBGODIVZICROHDG-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.30
Rot. Bonds3

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

7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 20996448) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID20996448
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCOc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(C)cc1)CC3
InChIInChI=1S/C19H18N2O3S/c1-13-3-7-17(8-4-13)25(22,23)21-10-9-15-11-14-5-6-16(24-2)12-18(14)20-19(15)21/h3-8,11-12H,9-10H2,1-2H3
InChIKeyBGODIVZICROHDG-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 7-methoxy-1-(4-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

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline (CID 20996448) is 7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline is COc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccc(C)cc1)CC3.
What is the InChIKey of 7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is BGODIVZICROHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-13-3-7-17(8-4-13)25(22,23)21-10-9-15-11-14-5-6-16(24-2)12-18(14)20-19(15)21/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline?
7-methoxy-1-(4-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 7-methoxy-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 20996448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).