2-[6-(3-hydroxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one

C21H16N2O2 — CID 70685818

IUPAC2-[6-(3-hydroxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3cccc(O)c3)nc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H16N2O2/c1-13-20(23-19-8-3-2-7-17(19)21(13)25)15-9-10-18(22-12-15)14-5-4-6-16(24)11-14/h2-12,24H,1H3,(H,23,25)
InChIKeyHZTSTPNVBNNMNI-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.27
Rot. Bonds2

About 2-[6-(3-hydroxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one

2-[6-(3-hydroxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one (PubChem CID 70685818) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[6-(3-hydroxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[6-(3-hydroxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one
PubChem CID70685818
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name2-[6-(3-hydroxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one
SMILESCc1c(-c2ccc(-c3cccc(O)c3)nc2)[nH]c2ccccc2c1=O
InChIInChI=1S/C21H16N2O2/c1-13-20(23-19-8-3-2-7-17(19)21(13)25)15-9-10-18(22-12-15)14-5-4-6-16(24)11-14/h2-12,24H,1H3,(H,23,25)
InChIKeyHZTSTPNVBNNMNI-UHFFFAOYSA-N
XLogP4.27
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[6-(3-hydroxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-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-[6-(3-hydroxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one?
The IUPAC name of 2-[6-(3-hydroxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one (CID 70685818) is 2-[6-(3-hydroxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[6-(3-hydroxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-[6-(3-hydroxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one is Cc1c(-c2ccc(-c3cccc(O)c3)nc2)[nH]c2ccccc2c1=O.
What is the InChIKey of 2-[6-(3-hydroxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one?
The InChIKey is HZTSTPNVBNNMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-13-20(23-19-8-3-2-7-17(19)21(13)25)15-9-10-18(22-12-15)14-5-4-6-16(24)11-14/h2-12,24H,1H3,(H,23,25).
What are the key properties of 2-[6-(3-hydroxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one?
2-[6-(3-hydroxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one has a molecular weight of 328.37 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-hydroxyphenyl)-3-pyridinyl]-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 70685818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).