2-(4-chlorophenyl)-5-hydroxy-4-methylisoquinolin-1-one

C16H12ClNO2 — CID 118407458

IUPAC2-(4-chlorophenyl)-5-hydroxy-4-methylisoquinolin-1-one
SMILESCc1cn(-c2ccc(Cl)cc2)c(=O)c2cccc(O)c12
InChIInChI=1S/C16H12ClNO2/c1-10-9-18(12-7-5-11(17)6-8-12)16(20)13-3-2-4-14(19)15(10)13/h2-9,19H,1H3
InChIKeyLKUCAECHNPXFKD-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.66
Rot. Bonds1

About 2-(4-chlorophenyl)-5-hydroxy-4-methylisoquinolin-1-one

2-(4-chlorophenyl)-5-hydroxy-4-methylisoquinolin-1-one (PubChem CID 118407458) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-hydroxy-4-methylisoquinolin-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-hydroxy-4-methylisoquinolin-1-one
PubChem CID118407458
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name2-(4-chlorophenyl)-5-hydroxy-4-methylisoquinolin-1-one
SMILESCc1cn(-c2ccc(Cl)cc2)c(=O)c2cccc(O)c12
InChIInChI=1S/C16H12ClNO2/c1-10-9-18(12-7-5-11(17)6-8-12)16(20)13-3-2-4-14(19)15(10)13/h2-9,19H,1H3
InChIKeyLKUCAECHNPXFKD-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-5-hydroxy-4-methylisoquinolin-1-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 2-(4-chlorophenyl)-5-hydroxy-4-methylisoquinolin-1-one?
The IUPAC name of 2-(4-chlorophenyl)-5-hydroxy-4-methylisoquinolin-1-one (CID 118407458) is 2-(4-chlorophenyl)-5-hydroxy-4-methylisoquinolin-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-hydroxy-4-methylisoquinolin-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-hydroxy-4-methylisoquinolin-1-one is Cc1cn(-c2ccc(Cl)cc2)c(=O)c2cccc(O)c12.
What is the InChIKey of 2-(4-chlorophenyl)-5-hydroxy-4-methylisoquinolin-1-one?
The InChIKey is LKUCAECHNPXFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-10-9-18(12-7-5-11(17)6-8-12)16(20)13-3-2-4-14(19)15(10)13/h2-9,19H,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-hydroxy-4-methylisoquinolin-1-one?
2-(4-chlorophenyl)-5-hydroxy-4-methylisoquinolin-1-one has a molecular weight of 285.73 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-hydroxy-4-methylisoquinolin-1-one is sourced from PubChem (CID 118407458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).