3-(4-nitrophenyl)-2-phenylquinazolin-4-one

C20H13N3O3 — CID 921318

IUPAC3-(4-nitrophenyl)-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H13N3O3/c24-20-17-8-4-5-9-18(17)21-19(14-6-2-1-3-7-14)22(20)15-10-12-16(13-11-15)23(25)26/h1-13H
InChIKeyJINQBQJLZYJRDU-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.96
Rot. Bonds3

About 3-(4-nitrophenyl)-2-phenylquinazolin-4-one

3-(4-nitrophenyl)-2-phenylquinazolin-4-one (PubChem CID 921318) has the molecular formula C20H13N3O3 and a molecular weight of 343.34 g/mol. Its IUPAC name is 3-(4-nitrophenyl)-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-(4-nitrophenyl)-2-phenylquinazolin-4-one
PubChem CID921318
Molecular FormulaC20H13N3O3
Molecular Weight343.34 g/mol
Exact Mass343.10
IUPAC Name3-(4-nitrophenyl)-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H13N3O3/c24-20-17-8-4-5-9-18(17)21-19(14-6-2-1-3-7-14)22(20)15-10-12-16(13-11-15)23(25)26/h1-13H
InChIKeyJINQBQJLZYJRDU-UHFFFAOYSA-N
XLogP3.96
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-nitrophenyl)-2-phenylquinazolin-4-one?
The IUPAC name of 3-(4-nitrophenyl)-2-phenylquinazolin-4-one (CID 921318) is 3-(4-nitrophenyl)-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-(4-nitrophenyl)-2-phenylquinazolin-4-one?
The canonical SMILES for 3-(4-nitrophenyl)-2-phenylquinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-(4-nitrophenyl)-2-phenylquinazolin-4-one?
The InChIKey is JINQBQJLZYJRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O3/c24-20-17-8-4-5-9-18(17)21-19(14-6-2-1-3-7-14)22(20)15-10-12-16(13-11-15)23(25)26/h1-13H.
What are the key properties of 3-(4-nitrophenyl)-2-phenylquinazolin-4-one?
3-(4-nitrophenyl)-2-phenylquinazolin-4-one has a molecular weight of 343.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitrophenyl)-2-phenylquinazolin-4-one is sourced from PubChem (CID 921318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).