3-(3-nitrophenyl)quinazolin-4-one

C14H9N3O3 — CID 823518

IUPAC3-(3-nitrophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H9N3O3/c18-14-12-6-1-2-7-13(12)15-9-16(14)10-4-3-5-11(8-10)17(19)20/h1-9H
InChIKeyOXJYBDFFUYVPMH-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.29
Rot. Bonds2

About 3-(3-nitrophenyl)quinazolin-4-one

3-(3-nitrophenyl)quinazolin-4-one (PubChem CID 823518) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is 3-(3-nitrophenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(3-nitrophenyl)quinazolin-4-one
PubChem CID823518
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name3-(3-nitrophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H9N3O3/c18-14-12-6-1-2-7-13(12)15-9-16(14)10-4-3-5-11(8-10)17(19)20/h1-9H
InChIKeyOXJYBDFFUYVPMH-UHFFFAOYSA-N
XLogP2.29
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.29
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'}

Analyze 3-(3-nitrophenyl)quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitrophenyl)quinazolin-4-one?
The IUPAC name of 3-(3-nitrophenyl)quinazolin-4-one (CID 823518) is 3-(3-nitrophenyl)quinazolin-4-one.
What is the SMILES notation for 3-(3-nitrophenyl)quinazolin-4-one?
The canonical SMILES for 3-(3-nitrophenyl)quinazolin-4-one is O=c1c2ccccc2ncn1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-(3-nitrophenyl)quinazolin-4-one?
The InChIKey is OXJYBDFFUYVPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O3/c18-14-12-6-1-2-7-13(12)15-9-16(14)10-4-3-5-11(8-10)17(19)20/h1-9H.
What are the key properties of 3-(3-nitrophenyl)quinazolin-4-one?
3-(3-nitrophenyl)quinazolin-4-one has a molecular weight of 267.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)quinazolin-4-one is sourced from PubChem (CID 823518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).