3-(3-hydroxyquinoxalin-2-yl)-N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)propanamide

• ChemBase ID: 331379
• Molecular Formular: C20H20N6O2
• Molecular Mass: 376.4118
• Monoisotopic Mass: 376.16477391
• SMILES: c12nc(cn1cccn2)C(NC(=O)CCc1nc2c(nc1O)cccc2)CC
• Canonical SMILES: CCC(c1nc2n(c1)cccn2)NC(=O)CCc1nc2ccccc2nc1O
• InChI: InChI=1S/C20H20N6O2/c1-2-13(17-12-26-11-5-10-21-20(26)25-17)23-18(27)9-8-16-19(28)24-15-7-4-3-6-14(15)22-16/h3-7,10-13H,2,8-9H2,1H3,(H,23,27)(H,24,28)
• InChIKey: SGSMPSLMMPJWPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-hydroxyquinoxalin-2-yl)-N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)propanamide
• IUPAC Traditional name: 3-(3-hydroxyquinoxalin-2-yl)-N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)propanamide
• Synonyms: 3-(3-hydroxy-2-quinoxalinyl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.036424
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.6931942
• LogD (pH = 7.4): 1.6941059
• Log P: 1.6942177
• Molar Refractivity: 103.7884 cm^3
• Polarizability: 40.587337 Å^3
• Polar Surface Area: 105.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.61
• LOG S: -4.43
• Polar Surface Area: 105.3 Å^2
• Rotatable Bonds: 6