3-(3-benzylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one

C22H16ClNO2 — CID 54699137

IUPAC3-(3-benzylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Cc2ccccc2)c1
InChIInChI=1S/C22H16ClNO2/c23-17-9-10-18-19(13-17)24-22(26)20(21(18)25)16-8-4-7-15(12-16)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H2,24,25,26)
InChIKeyTXJNBHVQPGOFGA-UHFFFAOYSA-N
MW361.83 g/mol
LogP5.14
Rot. Bonds3

About 3-(3-benzylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one

3-(3-benzylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one (PubChem CID 54699137) has the molecular formula C22H16ClNO2 and a molecular weight of 361.83 g/mol. Its IUPAC name is 3-(3-benzylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(3-benzylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one
PubChem CID54699137
Molecular FormulaC22H16ClNO2
Molecular Weight361.83 g/mol
Exact Mass361.09
IUPAC Name3-(3-benzylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Cc2ccccc2)c1
InChIInChI=1S/C22H16ClNO2/c23-17-9-10-18-19(13-17)24-22(26)20(21(18)25)16-8-4-7-15(12-16)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H2,24,25,26)
InChIKeyTXJNBHVQPGOFGA-UHFFFAOYSA-N
XLogP5.14
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.83
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-benzylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-(3-benzylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one (CID 54699137) is 3-(3-benzylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-(3-benzylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-(3-benzylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Cc2ccccc2)c1.
What is the InChIKey of 3-(3-benzylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one?
The InChIKey is TXJNBHVQPGOFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO2/c23-17-9-10-18-19(13-17)24-22(26)20(21(18)25)16-8-4-7-15(12-16)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H2,24,25,26).
What are the key properties of 3-(3-benzylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one?
3-(3-benzylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one has a molecular weight of 361.83 g/mol, XLogP of 5.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54699137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).