3-[(4-chlorophenyl)methyl]-2-phenylquinazolin-4-one

C21H15ClN2O — CID 1237929

IUPAC3-[(4-chlorophenyl)methyl]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN2O/c22-17-12-10-15(11-13-17)14-24-20(16-6-2-1-3-7-16)23-19-9-5-4-8-18(19)21(24)25/h1-13H,14H2
InChIKeyVWGDINUCTXGESF-UHFFFAOYSA-N
MW346.82 g/mol
LogP4.77
Rot. Bonds3

About 3-[(4-chlorophenyl)methyl]-2-phenylquinazolin-4-one

3-[(4-chlorophenyl)methyl]-2-phenylquinazolin-4-one (PubChem CID 1237929) has the molecular formula C21H15ClN2O and a molecular weight of 346.82 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-2-phenylquinazolin-4-one
PubChem CID1237929
Molecular FormulaC21H15ClN2O
Molecular Weight346.82 g/mol
Exact Mass346.09
IUPAC Name3-[(4-chlorophenyl)methyl]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN2O/c22-17-12-10-15(11-13-17)14-24-20(16-6-2-1-3-7-16)23-19-9-5-4-8-18(19)21(24)25/h1-13H,14H2
InChIKeyVWGDINUCTXGESF-UHFFFAOYSA-N
XLogP4.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-2-phenylquinazolin-4-one (CID 1237929) is 3-[(4-chlorophenyl)methyl]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-2-phenylquinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-2-phenylquinazolin-4-one?
The InChIKey is VWGDINUCTXGESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O/c22-17-12-10-15(11-13-17)14-24-20(16-6-2-1-3-7-16)23-19-9-5-4-8-18(19)21(24)25/h1-13H,14H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]-2-phenylquinazolin-4-one?
3-[(4-chlorophenyl)methyl]-2-phenylquinazolin-4-one has a molecular weight of 346.82 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-2-phenylquinazolin-4-one is sourced from PubChem (CID 1237929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).