methyl 2-{5-oxo-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-6-yl}acetate

• ChemBase ID: 225491
• Molecular Formular: C13H13N3O3
• Molecular Mass: 259.26062
• Monoisotopic Mass: 259.09569129
• SMILES: n12c(=O)n(c3c(c1=NCC2)cccc3)CC(=O)OC
• Canonical SMILES: COC(=O)Cn1c(=O)n2CCN=c2c2c1cccc2
• InChI: InChI=1S/C13H13N3O3/c1-19-11(17)8-16-10-5-3-2-4-9(10)12-14-6-7-15(12)13(16)18/h2-5H,6-8H2,1H3
• InChIKey: GTMPSOZGJZIZEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-{5-oxo-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-6-yl}acetate
• IUPAC Traditional name: methyl 2-{5-oxo-2H,3H-imidazo[1,2-c]quinazolin-6-yl}acetate

Database IDs

• PubChem SID: 164281401
• PubChem CID: 45589288

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.1771546
• LogD (pH = 7.4): 0.51673305
• Log P: 0.5233797
• Molar Refractivity: 67.6272 cm^3
• Polarizability: 25.625885 Å^3
• Polar Surface Area: 62.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds