3-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1H-quinolin-4-one

C21H20ClNOS — CID 154707679

IUPAC3-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1H-quinolin-4-one
SMILESO=c1c(Sc2ccc(Cl)cc2)c(C2CCCCC2)[nH]c2ccccc12
InChIInChI=1S/C21H20ClNOS/c22-15-10-12-16(13-11-15)25-21-19(14-6-2-1-3-7-14)23-18-9-5-4-8-17(18)20(21)24/h4-5,8-14H,1-3,6-7H2,(H,23,24)
InChIKeyZGFNYAPHRJSYRS-UHFFFAOYSA-N
MW369.92 g/mol
LogP6.38
Rot. Bonds3

About 3-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1H-quinolin-4-one

3-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1H-quinolin-4-one (PubChem CID 154707679) has the molecular formula C21H20ClNOS and a molecular weight of 369.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1H-quinolin-4-one
PubChem CID154707679
Molecular FormulaC21H20ClNOS
Molecular Weight369.92 g/mol
Exact Mass369.10
IUPAC Name3-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1H-quinolin-4-one
SMILESO=c1c(Sc2ccc(Cl)cc2)c(C2CCCCC2)[nH]c2ccccc12
InChIInChI=1S/C21H20ClNOS/c22-15-10-12-16(13-11-15)25-21-19(14-6-2-1-3-7-14)23-18-9-5-4-8-17(18)20(21)24/h4-5,8-14H,1-3,6-7H2,(H,23,24)
InChIKeyZGFNYAPHRJSYRS-UHFFFAOYSA-N
XLogP6.38
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.92
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1H-quinolin-4-one 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

2,3-bis[(4-chlorophenyl)sulfanyl]-1H-indole
CID 10453718
4-[3-(4-chlorophenyl)sulfanyl-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohexan-1-one
CID 70170674
3-(4-chlorophenyl)sulfanyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 90645721
2-cyclononyl-3-methyl-1H-indole
CID 173177369
3-cyclohexylsulfanyl-2-phenyl-1H-quinolin-4-one
CID 154707683
3,4-bis[(4-chlorophenyl)sulfanyl]cyclobut-3-ene-1,2-dione
CID 606826
8-chloro-3-(4-chlorophenyl)sulfanyl-2-methyl-1H-quinolin-4-one
CID 141173282
2-(4-chlorophenyl)sulfanyl-3-methyl-1H-indole
CID 138983413
3-(4-chlorophenyl)sulfanyl-N-cyclohexyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 54592070
2-(4-chlorophenyl)sulfanyl-3-(4-methoxyphenyl)sulfanyl-1H-indole
CID 10596987
2-cyclobutyl-3-methyl-1H-indole
CID 91217757
(10S,15S)-10-(4-chlorophenyl)-13-cyclohexyl-12-sulfanylidene-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-14-one
CID 41301442

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1H-quinolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1H-quinolin-4-one (CID 154707679) is 3-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1H-quinolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1H-quinolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1H-quinolin-4-one is O=c1c(Sc2ccc(Cl)cc2)c(C2CCCCC2)[nH]c2ccccc12.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1H-quinolin-4-one?
The InChIKey is ZGFNYAPHRJSYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNOS/c22-15-10-12-16(13-11-15)25-21-19(14-6-2-1-3-7-14)23-18-9-5-4-8-17(18)20(21)24/h4-5,8-14H,1-3,6-7H2,(H,23,24).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1H-quinolin-4-one?
3-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1H-quinolin-4-one has a molecular weight of 369.92 g/mol, XLogP of 6.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-2-cyclohexyl-1H-quinolin-4-one is sourced from PubChem (CID 154707679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).