3-[2-[2-(4-methylphenyl)phenyl]ethenyl]quinazolin-4-one

C23H18N2O — CID 174752275

IUPAC3-[2-[2-(4-methylphenyl)phenyl]ethenyl]quinazolin-4-one
SMILESCc1ccc(-c2ccccc2C=Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C23H18N2O/c1-17-10-12-19(13-11-17)20-7-3-2-6-18(20)14-15-25-16-24-22-9-5-4-8-21(22)23(25)26/h2-16H,1H3
InChIKeyPARNDRBOLREUSJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.00
Rot. Bonds3

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

3-[2-[2-(4-methylphenyl)phenyl]ethenyl]quinazolin-4-one (PubChem CID 174752275) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[2-[2-(4-methylphenyl)phenyl]ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[2-(4-methylphenyl)phenyl]ethenyl]quinazolin-4-one
PubChem CID174752275
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name3-[2-[2-(4-methylphenyl)phenyl]ethenyl]quinazolin-4-one
SMILESCc1ccc(-c2ccccc2C=Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C23H18N2O/c1-17-10-12-19(13-11-17)20-7-3-2-6-18(20)14-15-25-16-24-22-9-5-4-8-21(22)23(25)26/h2-16H,1H3
InChIKeyPARNDRBOLREUSJ-UHFFFAOYSA-N
XLogP5.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2-[2-(4-methylphenyl)phenyl]ethenyl]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-[2-(4-methylphenyl)phenyl]ethenyl]quinazolin-4-one?
The IUPAC name of 3-[2-[2-(4-methylphenyl)phenyl]ethenyl]quinazolin-4-one (CID 174752275) is 3-[2-[2-(4-methylphenyl)phenyl]ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-[2-(4-methylphenyl)phenyl]ethenyl]quinazolin-4-one?
The canonical SMILES for 3-[2-[2-(4-methylphenyl)phenyl]ethenyl]quinazolin-4-one is Cc1ccc(-c2ccccc2C=Cn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[2-[2-(4-methylphenyl)phenyl]ethenyl]quinazolin-4-one?
The InChIKey is PARNDRBOLREUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c1-17-10-12-19(13-11-17)20-7-3-2-6-18(20)14-15-25-16-24-22-9-5-4-8-21(22)23(25)26/h2-16H,1H3.
What are the key properties of 3-[2-[2-(4-methylphenyl)phenyl]ethenyl]quinazolin-4-one?
3-[2-[2-(4-methylphenyl)phenyl]ethenyl]quinazolin-4-one has a molecular weight of 338.41 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(4-methylphenyl)phenyl]ethenyl]quinazolin-4-one is sourced from PubChem (CID 174752275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).