3-(3-hydroxyquinoxalin-2-yl)-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)propanamide

• ChemBase ID: 429723
• Molecular Formular: C20H19N5O2
• Molecular Mass: 361.39716
• Monoisotopic Mass: 361.15387487
• SMILES: n12c(nc(c1)CNC(=O)CCc1nc3c(nc1O)cccc3)ccc(c2)C
• Canonical SMILES: O=C(CCc1nc2ccccc2nc1O)NCc1nc2n(c1)cc(cc2)C
• InChI: InChI=1S/C20H19N5O2/c1-13-6-8-18-22-14(12-25(18)11-13)10-21-19(26)9-7-17-20(27)24-16-5-3-2-4-15(16)23-17/h2-6,8,11-12H,7,9-10H2,1H3,(H,21,26)(H,24,27)
• InChIKey: IXWICBSVGVCYKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-hydroxyquinoxalin-2-yl)-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)propanamide
• IUPAC Traditional name: 3-(3-hydroxyquinoxalin-2-yl)-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)propanamide
• Synonyms: 3-(3-hydroxy-2-quinoxalinyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.0392685
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.3304315
• LogD (pH = 7.4): 2.041216
• Log P: 2.0686069
• Molar Refractivity: 100.9585 cm^3
• Polarizability: 39.545753 Å^3
• Polar Surface Area: 92.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.13
• LOG S: -4.76
• Polar Surface Area: 92.41 Å^2
• Rotatable Bonds: 5