3-phenylquinazolin-4-one

C14H10N2O — CID 785275

IUPAC3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2ncn1-c1ccccc1
InChIInChI=1S/C14H10N2O/c17-14-12-8-4-5-9-13(12)15-10-16(14)11-6-2-1-3-7-11/h1-10H
InChIKeyWAIHFZPSLVDBRV-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.39
Rot. Bonds1

About 3-phenylquinazolin-4-one

3-phenylquinazolin-4-one (PubChem CID 785275) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-phenylquinazolin-4-one
PubChem CID785275
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2ncn1-c1ccccc1
InChIInChI=1S/C14H10N2O/c17-14-12-8-4-5-9-13(12)15-10-16(14)11-6-2-1-3-7-11/h1-10H
InChIKeyWAIHFZPSLVDBRV-UHFFFAOYSA-N
XLogP2.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenylquinazolin-4-one?
The IUPAC name of 3-phenylquinazolin-4-one (CID 785275) is 3-phenylquinazolin-4-one.
What is the SMILES notation for 3-phenylquinazolin-4-one?
The canonical SMILES for 3-phenylquinazolin-4-one is O=c1c2ccccc2ncn1-c1ccccc1.
What is the InChIKey of 3-phenylquinazolin-4-one?
The InChIKey is WAIHFZPSLVDBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c17-14-12-8-4-5-9-13(12)15-10-16(14)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 3-phenylquinazolin-4-one?
3-phenylquinazolin-4-one has a molecular weight of 222.25 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylquinazolin-4-one is sourced from PubChem (CID 785275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).