2-(prop-2-enylamino)-3H-quinazolin-4-one

C11H11N3O — CID 135439664

IUPAC2-(prop-2-enylamino)-3H-quinazolin-4-one
SMILESC=CCNc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C11H11N3O/c1-2-7-12-11-13-9-6-4-3-5-8(9)10(15)14-11/h2-6H,1,7H2,(H2,12,13,14,15)
InChIKeyZETWMYAXMHEBAD-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.52
Rot. Bonds3

About 2-(prop-2-enylamino)-3H-quinazolin-4-one

2-(prop-2-enylamino)-3H-quinazolin-4-one (PubChem CID 135439664) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(prop-2-enylamino)-3H-quinazolin-4-one
PubChem CID135439664
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-(prop-2-enylamino)-3H-quinazolin-4-one
SMILESC=CCNc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C11H11N3O/c1-2-7-12-11-13-9-6-4-3-5-8(9)10(15)14-11/h2-6H,1,7H2,(H2,12,13,14,15)
InChIKeyZETWMYAXMHEBAD-UHFFFAOYSA-N
XLogP1.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(prop-2-enylamino)-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-(prop-2-enylamino)-3H-quinazolin-4-one?
The IUPAC name of 2-(prop-2-enylamino)-3H-quinazolin-4-one (CID 135439664) is 2-(prop-2-enylamino)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(prop-2-enylamino)-3H-quinazolin-4-one?
The canonical SMILES for 2-(prop-2-enylamino)-3H-quinazolin-4-one is C=CCNc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(prop-2-enylamino)-3H-quinazolin-4-one?
The InChIKey is ZETWMYAXMHEBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-7-12-11-13-9-6-4-3-5-8(9)10(15)14-11/h2-6H,1,7H2,(H2,12,13,14,15).
What are the key properties of 2-(prop-2-enylamino)-3H-quinazolin-4-one?
2-(prop-2-enylamino)-3H-quinazolin-4-one has a molecular weight of 201.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)-3H-quinazolin-4-one is sourced from PubChem (CID 135439664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).