1-phenylquinazolin-4-one

C14H10N2O — CID 607063

IUPAC1-phenylquinazolin-4-one
SMILESO=c1ncn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C14H10N2O/c17-14-12-8-4-5-9-13(12)16(10-15-14)11-6-2-1-3-7-11/h1-10H
InChIKeyWWCBEUYREIMNON-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.39
Rot. Bonds1

About 1-phenylquinazolin-4-one

1-phenylquinazolin-4-one (PubChem CID 607063) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-phenylquinazolin-4-one.

Molecular Properties

Compound Name1-phenylquinazolin-4-one
PubChem CID607063
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name1-phenylquinazolin-4-one
SMILESO=c1ncn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C14H10N2O/c17-14-12-8-4-5-9-13(12)16(10-15-14)11-6-2-1-3-7-11/h1-10H
InChIKeyWWCBEUYREIMNON-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 1-phenylquinazolin-4-one?
The IUPAC name of 1-phenylquinazolin-4-one (CID 607063) is 1-phenylquinazolin-4-one.
What is the SMILES notation for 1-phenylquinazolin-4-one?
The canonical SMILES for 1-phenylquinazolin-4-one is O=c1ncn(-c2ccccc2)c2ccccc12.
What is the InChIKey of 1-phenylquinazolin-4-one?
The InChIKey is WWCBEUYREIMNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c17-14-12-8-4-5-9-13(12)16(10-15-14)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 1-phenylquinazolin-4-one?
1-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 1-phenylquinazolin-4-one is sourced from PubChem (CID 607063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).