3-(3-chlorophenyl)-4-hydroxy-1-methylquinolin-2-one

C16H12ClNO2 — CID 54677840

IUPAC3-(3-chlorophenyl)-4-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(-c2cccc(Cl)c2)c(O)c2ccccc21
InChIInChI=1S/C16H12ClNO2/c1-18-13-8-3-2-7-12(13)15(19)14(16(18)20)10-5-4-6-11(17)9-10/h2-9,19H,1H3
InChIKeyZFUYYBNODMBJPS-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.56
Rot. Bonds1

About 3-(3-chlorophenyl)-4-hydroxy-1-methylquinolin-2-one

3-(3-chlorophenyl)-4-hydroxy-1-methylquinolin-2-one (PubChem CID 54677840) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-hydroxy-1-methylquinolin-2-one
PubChem CID54677840
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name3-(3-chlorophenyl)-4-hydroxy-1-methylquinolin-2-one
SMILESCn1c(=O)c(-c2cccc(Cl)c2)c(O)c2ccccc21
InChIInChI=1S/C16H12ClNO2/c1-18-13-8-3-2-7-12(13)15(19)14(16(18)20)10-5-4-6-11(17)9-10/h2-9,19H,1H3
InChIKeyZFUYYBNODMBJPS-UHFFFAOYSA-N
XLogP3.56
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 3-(3-chlorophenyl)-4-hydroxy-1-methylquinolin-2-one (CID 54677840) is 3-(3-chlorophenyl)-4-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-4-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-4-hydroxy-1-methylquinolin-2-one is Cn1c(=O)c(-c2cccc(Cl)c2)c(O)c2ccccc21.
What is the InChIKey of 3-(3-chlorophenyl)-4-hydroxy-1-methylquinolin-2-one?
The InChIKey is ZFUYYBNODMBJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-18-13-8-3-2-7-12(13)15(19)14(16(18)20)10-5-4-6-11(17)9-10/h2-9,19H,1H3.
What are the key properties of 3-(3-chlorophenyl)-4-hydroxy-1-methylquinolin-2-one?
3-(3-chlorophenyl)-4-hydroxy-1-methylquinolin-2-one has a molecular weight of 285.73 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 54677840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).