4-[(1S)-1-(7,8-dimethylimidazo[4,5-c]quinolin-1-yl)ethyl]benzenesulfonamide

C20H20N4O2S — CID 165011558

IUPAC4-[(1S)-1-(7,8-dimethylimidazo[4,5-c]quinolin-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc2ncc3ncn([C@@H](C)c4ccc(S(N)(=O)=O)cc4)c3c2cc1C
InChIInChI=1S/C20H20N4O2S/c1-12-8-17-18(9-13(12)2)22-10-19-20(17)24(11-23-19)14(3)15-4-6-16(7-5-15)27(21,25)26/h4-11,14H,1-3H3,(H2,21,25,26)/t14-/m0/s1
InChIKeyJUBSYKOTNHVYRC-AWEZNQCLSA-N
MW380.47 g/mol
LogP3.46
Rot. Bonds3

About 4-[(1S)-1-(7,8-dimethylimidazo[4,5-c]quinolin-1-yl)ethyl]benzenesulfonamide

4-[(1S)-1-(7,8-dimethylimidazo[4,5-c]quinolin-1-yl)ethyl]benzenesulfonamide (PubChem CID 165011558) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-[(1S)-1-(7,8-dimethylimidazo[4,5-c]quinolin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1S)-1-(7,8-dimethylimidazo[4,5-c]quinolin-1-yl)ethyl]benzenesulfonamide
PubChem CID165011558
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name4-[(1S)-1-(7,8-dimethylimidazo[4,5-c]quinolin-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc2ncc3ncn([C@@H](C)c4ccc(S(N)(=O)=O)cc4)c3c2cc1C
InChIInChI=1S/C20H20N4O2S/c1-12-8-17-18(9-13(12)2)22-10-19-20(17)24(11-23-19)14(3)15-4-6-16(7-5-15)27(21,25)26/h4-11,14H,1-3H3,(H2,21,25,26)/t14-/m0/s1
InChIKeyJUBSYKOTNHVYRC-AWEZNQCLSA-N
XLogP3.46
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(1S)-1-(7,8-dimethylimidazo[4,5-c]quinolin-1-yl)ethyl]benzenesulfonamide 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

4-[(8-cyano-7-methyl-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide
CID 164972295
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
4-[(2,7-dimethylpyrrolo[3,2-c]quinolin-1-yl)methyl]benzenesulfonamide
CID 165064656
1-[[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-7-methoxyimidazo[4,5-c]quinoline
CID 165035279
6-propan-2-ylnaphthalene-2-sulfonamide
CID 142387587
4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide
CID 43764060
4-(3,4-dimethylphenyl)-N-methyl-4-oxo-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 55439563
4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
(2R)-2-(4-sulfamoylphenyl)propanoic acid
CID 124571575
4-[(1S)-1-[(5-fluoro-2-methylphenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 124885486
4-(aminomethyl)benzenesulfonamide;4-chloro-6,7-dimethoxyquinolin-3-amine;N-(4-chloro-6,7-dimethoxyquinolin-3-yl)-N-methylacetamide;methane;4-[(3,7,8-trimethyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]benzenesulfonamide;hydrochloride
CID 165032681
4-[1-[2-(tert-butylamino)ethylamino]ethyl]benzenesulfonamide
CID 107444925

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(7,8-dimethylimidazo[4,5-c]quinolin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-[(1S)-1-(7,8-dimethylimidazo[4,5-c]quinolin-1-yl)ethyl]benzenesulfonamide (CID 165011558) is 4-[(1S)-1-(7,8-dimethylimidazo[4,5-c]quinolin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[(1S)-1-(7,8-dimethylimidazo[4,5-c]quinolin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[(1S)-1-(7,8-dimethylimidazo[4,5-c]quinolin-1-yl)ethyl]benzenesulfonamide is Cc1cc2ncc3ncn([C@@H](C)c4ccc(S(N)(=O)=O)cc4)c3c2cc1C.
What is the InChIKey of 4-[(1S)-1-(7,8-dimethylimidazo[4,5-c]quinolin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is JUBSYKOTNHVYRC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-12-8-17-18(9-13(12)2)22-10-19-20(17)24(11-23-19)14(3)15-4-6-16(7-5-15)27(21,25)26/h4-11,14H,1-3H3,(H2,21,25,26)/t14-/m0/s1.
What are the key properties of 4-[(1S)-1-(7,8-dimethylimidazo[4,5-c]quinolin-1-yl)ethyl]benzenesulfonamide?
4-[(1S)-1-(7,8-dimethylimidazo[4,5-c]quinolin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(7,8-dimethylimidazo[4,5-c]quinolin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 165011558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).