3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-1H-quinolin-2-one

C21H13Cl2NO2 — CID 142207951

IUPAC3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(O)c1-c1cc(-c2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C21H13Cl2NO2/c22-14-8-5-12(6-9-14)13-7-10-17(23)16(11-13)19-20(25)15-3-1-2-4-18(15)24-21(19)26/h1-11H,(H2,24,25,26)
InChIKeyDJACOXSJRBNAQI-UHFFFAOYSA-N
MW382.25 g/mol
LogP5.87
Rot. Bonds2

About 3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-1H-quinolin-2-one

3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-1H-quinolin-2-one (PubChem CID 142207951) has the molecular formula C21H13Cl2NO2 and a molecular weight of 382.25 g/mol. Its IUPAC name is 3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-1H-quinolin-2-one
PubChem CID142207951
Molecular FormulaC21H13Cl2NO2
Molecular Weight382.25 g/mol
Exact Mass381.03
IUPAC Name3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(O)c1-c1cc(-c2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C21H13Cl2NO2/c22-14-8-5-12(6-9-14)13-7-10-17(23)16(11-13)19-20(25)15-3-1-2-4-18(15)24-21(19)26/h1-11H,(H2,24,25,26)
InChIKeyDJACOXSJRBNAQI-UHFFFAOYSA-N
XLogP5.87
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.25
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-1H-quinolin-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-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-1H-quinolin-2-one (CID 142207951) is 3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-1H-quinolin-2-one is O=c1[nH]c2ccccc2c(O)c1-c1cc(-c2ccc(Cl)cc2)ccc1Cl.
What is the InChIKey of 3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-1H-quinolin-2-one?
The InChIKey is DJACOXSJRBNAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2NO2/c22-14-8-5-12(6-9-14)13-7-10-17(23)16(11-13)19-20(25)15-3-1-2-4-18(15)24-21(19)26/h1-11H,(H2,24,25,26).
What are the key properties of 3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-1H-quinolin-2-one?
3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-1H-quinolin-2-one has a molecular weight of 382.25 g/mol, XLogP of 5.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(4-chlorophenyl)phenyl]-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 142207951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).