2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]quinazolin-4-one

C23H20N2O — CID 23963016

IUPAC2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]quinazolin-4-one
SMILESCc1ccc(-c2nc3ccccc3c(=O)n2Cc2ccccc2C)cc1
InChIInChI=1S/C23H20N2O/c1-16-11-13-18(14-12-16)22-24-21-10-6-5-9-20(21)23(26)25(22)15-19-8-4-3-7-17(19)2/h3-14H,15H2,1-2H3
InChIKeyAPAYKUAWRBYORJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.73
Rot. Bonds3

About 2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]quinazolin-4-one

2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]quinazolin-4-one (PubChem CID 23963016) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]quinazolin-4-one
PubChem CID23963016
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]quinazolin-4-one
SMILESCc1ccc(-c2nc3ccccc3c(=O)n2Cc2ccccc2C)cc1
InChIInChI=1S/C23H20N2O/c1-16-11-13-18(14-12-16)22-24-21-10-6-5-9-20(21)23(26)25(22)15-19-8-4-3-7-17(19)2/h3-14H,15H2,1-2H3
InChIKeyAPAYKUAWRBYORJ-UHFFFAOYSA-N
XLogP4.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]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 2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]quinazolin-4-one?
The IUPAC name of 2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]quinazolin-4-one (CID 23963016) is 2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]quinazolin-4-one?
The canonical SMILES for 2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]quinazolin-4-one is Cc1ccc(-c2nc3ccccc3c(=O)n2Cc2ccccc2C)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]quinazolin-4-one?
The InChIKey is APAYKUAWRBYORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-16-11-13-18(14-12-16)22-24-21-10-6-5-9-20(21)23(26)25(22)15-19-8-4-3-7-17(19)2/h3-14H,15H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]quinazolin-4-one?
2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]quinazolin-4-one has a molecular weight of 340.43 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-[(2-methylphenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 23963016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).