2-benzyl-3-phenylquinazolin-4-one

C21H16N2O — CID 711376

IUPAC2-benzyl-3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(Cc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C21H16N2O/c24-21-18-13-7-8-14-19(18)22-20(15-16-9-3-1-4-10-16)23(21)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyWWXJWDPBDSRVBT-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.98
Rot. Bonds3

About 2-benzyl-3-phenylquinazolin-4-one

2-benzyl-3-phenylquinazolin-4-one (PubChem CID 711376) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-benzyl-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-benzyl-3-phenylquinazolin-4-one
PubChem CID711376
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name2-benzyl-3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(Cc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C21H16N2O/c24-21-18-13-7-8-14-19(18)22-20(15-16-9-3-1-4-10-16)23(21)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyWWXJWDPBDSRVBT-UHFFFAOYSA-N
XLogP3.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-phenylquinazolin-4-one?
The IUPAC name of 2-benzyl-3-phenylquinazolin-4-one (CID 711376) is 2-benzyl-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-benzyl-3-phenylquinazolin-4-one?
The canonical SMILES for 2-benzyl-3-phenylquinazolin-4-one is O=c1c2ccccc2nc(Cc2ccccc2)n1-c1ccccc1.
What is the InChIKey of 2-benzyl-3-phenylquinazolin-4-one?
The InChIKey is WWXJWDPBDSRVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c24-21-18-13-7-8-14-19(18)22-20(15-16-9-3-1-4-10-16)23(21)17-11-5-2-6-12-17/h1-14H,15H2.
What are the key properties of 2-benzyl-3-phenylquinazolin-4-one?
2-benzyl-3-phenylquinazolin-4-one has a molecular weight of 312.37 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-phenylquinazolin-4-one is sourced from PubChem (CID 711376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).