3-(4-methylphenyl)-2-phenylquinazolin-4-one

C21H16N2O — CID 722868

IUPAC3-(4-methylphenyl)-2-phenylquinazolin-4-one
SMILESCc1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C21H16N2O/c1-15-11-13-17(14-12-15)23-20(16-7-3-2-4-8-16)22-19-10-6-5-9-18(19)21(23)24/h2-14H,1H3
InChIKeyQBGIEWLTLCNRED-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.36
Rot. Bonds2

About 3-(4-methylphenyl)-2-phenylquinazolin-4-one

3-(4-methylphenyl)-2-phenylquinazolin-4-one (PubChem CID 722868) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-phenylquinazolin-4-one
PubChem CID722868
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name3-(4-methylphenyl)-2-phenylquinazolin-4-one
SMILESCc1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C21H16N2O/c1-15-11-13-17(14-12-15)23-20(16-7-3-2-4-8-16)22-19-10-6-5-9-18(19)21(23)24/h2-14H,1H3
InChIKeyQBGIEWLTLCNRED-UHFFFAOYSA-N
XLogP4.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-phenylquinazolin-4-one?
The IUPAC name of 3-(4-methylphenyl)-2-phenylquinazolin-4-one (CID 722868) is 3-(4-methylphenyl)-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-(4-methylphenyl)-2-phenylquinazolin-4-one?
The canonical SMILES for 3-(4-methylphenyl)-2-phenylquinazolin-4-one is Cc1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-phenylquinazolin-4-one?
The InChIKey is QBGIEWLTLCNRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-15-11-13-17(14-12-15)23-20(16-7-3-2-4-8-16)22-19-10-6-5-9-18(19)21(23)24/h2-14H,1H3.
What are the key properties of 3-(4-methylphenyl)-2-phenylquinazolin-4-one?
3-(4-methylphenyl)-2-phenylquinazolin-4-one has a molecular weight of 312.37 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-phenylquinazolin-4-one is sourced from PubChem (CID 722868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).