2-(2-aminophenyl)-3H-quinazolin-4-one

C14H11N3O — CID 135412953

IUPAC2-(2-aminophenyl)-3H-quinazolin-4-one
SMILESNc1ccccc1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C14H11N3O/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17-13/h1-8H,15H2,(H,16,17,18)
InChIKeyMDRBCQOOJMXHOC-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.17
Rot. Bonds1

About 2-(2-aminophenyl)-3H-quinazolin-4-one

2-(2-aminophenyl)-3H-quinazolin-4-one (PubChem CID 135412953) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(2-aminophenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-aminophenyl)-3H-quinazolin-4-one
PubChem CID135412953
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-(2-aminophenyl)-3H-quinazolin-4-one
SMILESNc1ccccc1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C14H11N3O/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17-13/h1-8H,15H2,(H,16,17,18)
InChIKeyMDRBCQOOJMXHOC-UHFFFAOYSA-N
XLogP2.17
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-aminophenyl)-3H-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 2-(2-aminophenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-aminophenyl)-3H-quinazolin-4-one (CID 135412953) is 2-(2-aminophenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-aminophenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-aminophenyl)-3H-quinazolin-4-one is Nc1ccccc1-c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(2-aminophenyl)-3H-quinazolin-4-one?
The InChIKey is MDRBCQOOJMXHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17-13/h1-8H,15H2,(H,16,17,18).
What are the key properties of 2-(2-aminophenyl)-3H-quinazolin-4-one?
2-(2-aminophenyl)-3H-quinazolin-4-one has a molecular weight of 237.26 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135412953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).