6-bromo-3-prop-2-enylquinazolin-4-one

C11H9BrN2O — CID 727510

IUPAC6-bromo-3-prop-2-enylquinazolin-4-one
SMILESC=CCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C11H9BrN2O/c1-2-5-14-7-13-10-4-3-8(12)6-9(10)11(14)15/h2-4,6-7H,1,5H2
InChIKeyWJTJASVEEKJBKN-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.35
Rot. Bonds2

About 6-bromo-3-prop-2-enylquinazolin-4-one

6-bromo-3-prop-2-enylquinazolin-4-one (PubChem CID 727510) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 6-bromo-3-prop-2-enylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-prop-2-enylquinazolin-4-one
PubChem CID727510
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name6-bromo-3-prop-2-enylquinazolin-4-one
SMILESC=CCn1cnc2ccc(Br)cc2c1=O
InChIInChI=1S/C11H9BrN2O/c1-2-5-14-7-13-10-4-3-8(12)6-9(10)11(14)15/h2-4,6-7H,1,5H2
InChIKeyWJTJASVEEKJBKN-UHFFFAOYSA-N
XLogP2.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-bromo-3-prop-2-enylquinazolin-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 6-bromo-3-prop-2-enylquinazolin-4-one?
The IUPAC name of 6-bromo-3-prop-2-enylquinazolin-4-one (CID 727510) is 6-bromo-3-prop-2-enylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-prop-2-enylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-prop-2-enylquinazolin-4-one is C=CCn1cnc2ccc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-3-prop-2-enylquinazolin-4-one?
The InChIKey is WJTJASVEEKJBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c1-2-5-14-7-13-10-4-3-8(12)6-9(10)11(14)15/h2-4,6-7H,1,5H2.
What are the key properties of 6-bromo-3-prop-2-enylquinazolin-4-one?
6-bromo-3-prop-2-enylquinazolin-4-one has a molecular weight of 265.11 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-prop-2-enylquinazolin-4-one is sourced from PubChem (CID 727510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).