3-(2-methoxyphenyl)-2-(2-oxo-2-pyridin-4-ylethyl)quinazolin-4-one

C22H17N3O3 — CID 14508411

IUPAC3-(2-methoxyphenyl)-2-(2-oxo-2-pyridin-4-ylethyl)quinazolin-4-one
SMILESCOc1ccccc1-n1c(CC(=O)c2ccncc2)nc2ccccc2c1=O
InChIInChI=1S/C22H17N3O3/c1-28-20-9-5-4-8-18(20)25-21(14-19(26)15-10-12-23-13-11-15)24-17-7-3-2-6-16(17)22(25)27/h2-13H,14H2,1H3
InChIKeyQGNLNCZKYHPEJH-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.21
Rot. Bonds5

About 3-(2-methoxyphenyl)-2-(2-oxo-2-pyridin-4-ylethyl)quinazolin-4-one

3-(2-methoxyphenyl)-2-(2-oxo-2-pyridin-4-ylethyl)quinazolin-4-one (PubChem CID 14508411) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-(2-oxo-2-pyridin-4-ylethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-(2-oxo-2-pyridin-4-ylethyl)quinazolin-4-one
PubChem CID14508411
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name3-(2-methoxyphenyl)-2-(2-oxo-2-pyridin-4-ylethyl)quinazolin-4-one
SMILESCOc1ccccc1-n1c(CC(=O)c2ccncc2)nc2ccccc2c1=O
InChIInChI=1S/C22H17N3O3/c1-28-20-9-5-4-8-18(20)25-21(14-19(26)15-10-12-23-13-11-15)24-17-7-3-2-6-16(17)22(25)27/h2-13H,14H2,1H3
InChIKeyQGNLNCZKYHPEJH-UHFFFAOYSA-N
XLogP3.21
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2-methoxyphenyl)-2-(2-oxo-2-pyridin-4-ylethyl)quinazolin-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 3-(2-methoxyphenyl)-2-(2-oxo-2-pyridin-4-ylethyl)quinazolin-4-one?
The IUPAC name of 3-(2-methoxyphenyl)-2-(2-oxo-2-pyridin-4-ylethyl)quinazolin-4-one (CID 14508411) is 3-(2-methoxyphenyl)-2-(2-oxo-2-pyridin-4-ylethyl)quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-(2-oxo-2-pyridin-4-ylethyl)quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyphenyl)-2-(2-oxo-2-pyridin-4-ylethyl)quinazolin-4-one is COc1ccccc1-n1c(CC(=O)c2ccncc2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-2-(2-oxo-2-pyridin-4-ylethyl)quinazolin-4-one?
The InChIKey is QGNLNCZKYHPEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-28-20-9-5-4-8-18(20)25-21(14-19(26)15-10-12-23-13-11-15)24-17-7-3-2-6-16(17)22(25)27/h2-13H,14H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-2-(2-oxo-2-pyridin-4-ylethyl)quinazolin-4-one?
3-(2-methoxyphenyl)-2-(2-oxo-2-pyridin-4-ylethyl)quinazolin-4-one has a molecular weight of 371.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-(2-oxo-2-pyridin-4-ylethyl)quinazolin-4-one is sourced from PubChem (CID 14508411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).