6-methyl-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-5-one

• ChemBase ID: 225319
• Molecular Formular: C11H11N3O
• Molecular Mass: 201.22454
• Monoisotopic Mass: 201.09021199
• SMILES: n12c(=O)n(c3c(c1=NCC2)cccc3)C
• Canonical SMILES: Cn1c2ccccc2c2=NCCn2c1=O
• InChI: InChI=1S/C11H11N3O/c1-13-9-5-3-2-4-8(9)10-12-6-7-14(10)11(13)15/h2-5H,6-7H2,1H3
• InChIKey: BCTLMEPPKPDLAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-5-one
• IUPAC Traditional name: 6-methyl-2H,3H-imidazo[1,2-c]quinazolin-5-one

Database IDs

• PubChem SID: 164281229
• PubChem CID: 13035732

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.44368076
• LogD (pH = 7.4): 0.8893987
• Log P: 0.89950234
• Molar Refractivity: 56.7735 cm^3
• Polarizability: 21.12755 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