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

C21H16N2O — CID 174752260

IUPAC3-[(2-phenylphenyl)methyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C21H16N2O/c24-21-19-12-6-7-13-20(19)22-15-23(21)14-17-10-4-5-11-18(17)16-8-2-1-3-9-16/h1-13,15H,14H2
InChIKeyHYRDUGRYWQPOPJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.11
Rot. Bonds3

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

3-[(2-phenylphenyl)methyl]quinazolin-4-one (PubChem CID 174752260) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[(2-phenylphenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(2-phenylphenyl)methyl]quinazolin-4-one
PubChem CID174752260
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name3-[(2-phenylphenyl)methyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C21H16N2O/c24-21-19-12-6-7-13-20(19)22-15-23(21)14-17-10-4-5-11-18(17)16-8-2-1-3-9-16/h1-13,15H,14H2
InChIKeyHYRDUGRYWQPOPJ-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766
8-bromo-6-chloro-3-[(2-phenylphenyl)methyl]quinazolin-4-one
CID 164835520
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one
CID 62101578
3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one
CID 10421762
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-propylquinazolin-4-one
CID 529124
methyl 2-[(4-oxoquinazolin-3-yl)methyl]-4-phenylquinoline-3-carboxylate
CID 18198896
3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one
CID 2362738
3-prop-2-ynylquinazolin-4-one
CID 603496
3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one
CID 7772208
5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid
CID 28824082

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylphenyl)methyl]quinazolin-4-one?
The IUPAC name of 3-[(2-phenylphenyl)methyl]quinazolin-4-one (CID 174752260) is 3-[(2-phenylphenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 3-[(2-phenylphenyl)methyl]quinazolin-4-one?
The canonical SMILES for 3-[(2-phenylphenyl)methyl]quinazolin-4-one is O=c1c2ccccc2ncn1Cc1ccccc1-c1ccccc1.
What is the InChIKey of 3-[(2-phenylphenyl)methyl]quinazolin-4-one?
The InChIKey is HYRDUGRYWQPOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c24-21-19-12-6-7-13-20(19)22-15-23(21)14-17-10-4-5-11-18(17)16-8-2-1-3-9-16/h1-13,15H,14H2.
What are the key properties of 3-[(2-phenylphenyl)methyl]quinazolin-4-one?
3-[(2-phenylphenyl)methyl]quinazolin-4-one has a molecular weight of 312.37 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylphenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 174752260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).