2-(4-hydroxyphenyl)-1-methylquinolin-4-one

C16H13NO2 — CID 11043197

IUPAC2-(4-hydroxyphenyl)-1-methylquinolin-4-one
SMILESCn1c(-c2ccc(O)cc2)cc(=O)c2ccccc21
InChIInChI=1S/C16H13NO2/c1-17-14-5-3-2-4-13(14)16(19)10-15(17)11-6-8-12(18)9-7-11/h2-10,18H,1H3
InChIKeyIVVGAXUISDFFMZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.91
Rot. Bonds1

About 2-(4-hydroxyphenyl)-1-methylquinolin-4-one

2-(4-hydroxyphenyl)-1-methylquinolin-4-one (PubChem CID 11043197) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1-methylquinolin-4-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1-methylquinolin-4-one
PubChem CID11043197
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name2-(4-hydroxyphenyl)-1-methylquinolin-4-one
SMILESCn1c(-c2ccc(O)cc2)cc(=O)c2ccccc21
InChIInChI=1S/C16H13NO2/c1-17-14-5-3-2-4-13(14)16(19)10-15(17)11-6-8-12(18)9-7-11/h2-10,18H,1H3
InChIKeyIVVGAXUISDFFMZ-UHFFFAOYSA-N
XLogP2.91
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-hydroxyphenyl)-1-methylquinolin-4-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-hydroxyphenyl)-1-methylquinolin-4-one?
The IUPAC name of 2-(4-hydroxyphenyl)-1-methylquinolin-4-one (CID 11043197) is 2-(4-hydroxyphenyl)-1-methylquinolin-4-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1-methylquinolin-4-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-1-methylquinolin-4-one is Cn1c(-c2ccc(O)cc2)cc(=O)c2ccccc21.
What is the InChIKey of 2-(4-hydroxyphenyl)-1-methylquinolin-4-one?
The InChIKey is IVVGAXUISDFFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-17-14-5-3-2-4-13(14)16(19)10-15(17)11-6-8-12(18)9-7-11/h2-10,18H,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-1-methylquinolin-4-one?
2-(4-hydroxyphenyl)-1-methylquinolin-4-one has a molecular weight of 251.29 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1-methylquinolin-4-one is sourced from PubChem (CID 11043197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).