2-methyl-3-(4-phenylphenyl)quinazolin-4-one

C21H16N2O — CID 878892

IUPAC2-methyl-3-(4-phenylphenyl)quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H16N2O/c1-15-22-20-10-6-5-9-19(20)21(24)23(15)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyNPMQVCODDMQMCL-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.36
Rot. Bonds2

About 2-methyl-3-(4-phenylphenyl)quinazolin-4-one

2-methyl-3-(4-phenylphenyl)quinazolin-4-one (PubChem CID 878892) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-methyl-3-(4-phenylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-(4-phenylphenyl)quinazolin-4-one
PubChem CID878892
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name2-methyl-3-(4-phenylphenyl)quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H16N2O/c1-15-22-20-10-6-5-9-19(20)21(24)23(15)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyNPMQVCODDMQMCL-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 2-methyl-3-(4-phenylphenyl)quinazolin-4-one?
The IUPAC name of 2-methyl-3-(4-phenylphenyl)quinazolin-4-one (CID 878892) is 2-methyl-3-(4-phenylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-(4-phenylphenyl)quinazolin-4-one?
The canonical SMILES for 2-methyl-3-(4-phenylphenyl)quinazolin-4-one is Cc1nc2ccccc2c(=O)n1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-methyl-3-(4-phenylphenyl)quinazolin-4-one?
The InChIKey is NPMQVCODDMQMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-15-22-20-10-6-5-9-19(20)21(24)23(15)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3.
What are the key properties of 2-methyl-3-(4-phenylphenyl)quinazolin-4-one?
2-methyl-3-(4-phenylphenyl)quinazolin-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 2-methyl-3-(4-phenylphenyl)quinazolin-4-one is sourced from PubChem (CID 878892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).