3-prop-2-enylquinazolin-2-one

C11H10N2O — CID 70631189

IUPAC3-prop-2-enylquinazolin-2-one
SMILESC=CCn1cc2ccccc2nc1=O
InChIInChI=1S/C11H10N2O/c1-2-7-13-8-9-5-3-4-6-10(9)12-11(13)14/h2-6,8H,1,7H2
InChIKeyHLNPKBQFTBUMNB-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.58
Rot. Bonds2

About 3-prop-2-enylquinazolin-2-one

3-prop-2-enylquinazolin-2-one (PubChem CID 70631189) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-prop-2-enylquinazolin-2-one.

Molecular Properties

Compound Name3-prop-2-enylquinazolin-2-one
PubChem CID70631189
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name3-prop-2-enylquinazolin-2-one
SMILESC=CCn1cc2ccccc2nc1=O
InChIInChI=1S/C11H10N2O/c1-2-7-13-8-9-5-3-4-6-10(9)12-11(13)14/h2-6,8H,1,7H2
InChIKeyHLNPKBQFTBUMNB-UHFFFAOYSA-N
XLogP1.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-prop-2-enylquinazolin-2-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-prop-2-enylquinazolin-2-one?
The IUPAC name of 3-prop-2-enylquinazolin-2-one (CID 70631189) is 3-prop-2-enylquinazolin-2-one.
What is the SMILES notation for 3-prop-2-enylquinazolin-2-one?
The canonical SMILES for 3-prop-2-enylquinazolin-2-one is C=CCn1cc2ccccc2nc1=O.
What is the InChIKey of 3-prop-2-enylquinazolin-2-one?
The InChIKey is HLNPKBQFTBUMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-2-7-13-8-9-5-3-4-6-10(9)12-11(13)14/h2-6,8H,1,7H2.
What are the key properties of 3-prop-2-enylquinazolin-2-one?
3-prop-2-enylquinazolin-2-one has a molecular weight of 186.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylquinazolin-2-one is sourced from PubChem (CID 70631189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).