3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one

C21H14ClNO2S — CID 54682455

IUPAC3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one
SMILESO=c1c(Sc2ccc(Cl)cc2)c(O)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C21H14ClNO2S/c22-14-10-12-16(13-11-14)26-20-19(24)17-8-4-5-9-18(17)23(21(20)25)15-6-2-1-3-7-15/h1-13,24H
InChIKeyHLXVTKQQGKAWBR-UHFFFAOYSA-N
MW379.87 g/mol
LogP5.50
Rot. Bonds3

About 3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one

3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one (PubChem CID 54682455) has the molecular formula C21H14ClNO2S and a molecular weight of 379.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one
PubChem CID54682455
Molecular FormulaC21H14ClNO2S
Molecular Weight379.87 g/mol
Exact Mass379.04
IUPAC Name3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one
SMILESO=c1c(Sc2ccc(Cl)cc2)c(O)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C21H14ClNO2S/c22-14-10-12-16(13-11-14)26-20-19(24)17-8-4-5-9-18(17)23(21(20)25)15-6-2-1-3-7-15/h1-13,24H
InChIKeyHLXVTKQQGKAWBR-UHFFFAOYSA-N
XLogP5.50
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.87
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one 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 3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one (CID 54682455) is 3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one is O=c1c(Sc2ccc(Cl)cc2)c(O)c2ccccc2n1-c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one?
The InChIKey is HLXVTKQQGKAWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO2S/c22-14-10-12-16(13-11-14)26-20-19(24)17-8-4-5-9-18(17)23(21(20)25)15-6-2-1-3-7-15/h1-13,24H.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one?
3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one has a molecular weight of 379.87 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-4-hydroxy-1-phenylquinolin-2-one is sourced from PubChem (CID 54682455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).