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

C22H14ClNO3 — CID 54698869

IUPAC3-(3-benzoylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one
SMILESO=C(c1ccccc1)c1cccc(-c2c(O)c3ccc(Cl)cc3[nH]c2=O)c1
InChIInChI=1S/C22H14ClNO3/c23-16-9-10-17-18(12-16)24-22(27)19(21(17)26)14-7-4-8-15(11-14)20(25)13-5-2-1-3-6-13/h1-12H,(H2,24,26,27)
InChIKeyMTQNMNSMPBPUBB-UHFFFAOYSA-N
MW375.81 g/mol
LogP4.79
Rot. Bonds3

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

3-(3-benzoylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one (PubChem CID 54698869) has the molecular formula C22H14ClNO3 and a molecular weight of 375.81 g/mol. Its IUPAC name is 3-(3-benzoylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(3-benzoylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one
PubChem CID54698869
Molecular FormulaC22H14ClNO3
Molecular Weight375.81 g/mol
Exact Mass375.07
IUPAC Name3-(3-benzoylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one
SMILESO=C(c1ccccc1)c1cccc(-c2c(O)c3ccc(Cl)cc3[nH]c2=O)c1
InChIInChI=1S/C22H14ClNO3/c23-16-9-10-17-18(12-16)24-22(27)19(21(17)26)14-7-4-8-15(11-14)20(25)13-5-2-1-3-6-13/h1-12H,(H2,24,26,27)
InChIKeyMTQNMNSMPBPUBB-UHFFFAOYSA-N
XLogP4.79
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-benzoylphenyl)-7-chloro-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-(3-benzoylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-(3-benzoylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one (CID 54698869) is 3-(3-benzoylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-(3-benzoylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-(3-benzoylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one is O=C(c1ccccc1)c1cccc(-c2c(O)c3ccc(Cl)cc3[nH]c2=O)c1.
What is the InChIKey of 3-(3-benzoylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one?
The InChIKey is MTQNMNSMPBPUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClNO3/c23-16-9-10-17-18(12-16)24-22(27)19(21(17)26)14-7-4-8-15(11-14)20(25)13-5-2-1-3-6-13/h1-12H,(H2,24,26,27).
What are the key properties of 3-(3-benzoylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one?
3-(3-benzoylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one has a molecular weight of 375.81 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzoylphenyl)-7-chloro-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54698869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).