10-methyl-2H,3H,5H,10H-imidazo[2,1-b]quinazolin-5-one

• ChemBase ID: 219954
• Molecular Formular: C11H11N3O
• Molecular Mass: 201.22454
• Monoisotopic Mass: 201.09021199
• SMILES: n12c(=NCC2)n(c2c(c1=O)cccc2)C
• Canonical SMILES: Cn1c2ccccc2c(=O)n2c1=NCC2
• InChI: InChI=1S/C11H11N3O/c1-13-9-5-3-2-4-8(9)10(15)14-7-6-12-11(13)14/h2-5H,6-7H2,1H3
• InChIKey: OBELRYOJXPHQSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-methyl-2H,3H,5H,10H-imidazo[2,1-b]quinazolin-5-one
• IUPAC Traditional name: 10-methyl-2H,3H-imidazo[2,1-b]quinazolin-5-one

Database IDs

• PubChem SID: 164275864
• PubChem CID: 731601

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.138063
• LogD (pH = 7.4): 1.2054381
• Log P: 1.206369
• Molar Refractivity: 57.8924 cm^3
• Polarizability: 20.937576 Å^3
• Polar Surface Area: 35.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds