N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide

• ChemBase ID: 859798
• Molecular Formular: C19H16N4O2
• Molecular Mass: 332.35594
• Monoisotopic Mass: 332.12732577
• SMILES: n12c(nc(c1)CNC(=O)c1c3c([nH]c(=O)c1)cccc3)ccc(c2)C
• Canonical SMILES: O=c1[nH]c2ccccc2c(c1)C(=O)NCc1nc2n(c1)cc(cc2)C
• InChI: InChI=1S/C19H16N4O2/c1-12-6-7-17-21-13(11-23(17)10-12)9-20-19(25)15-8-18(24)22-16-5-3-2-4-14(15)16/h2-8,10-11H,9H2,1H3,(H,20,25)(H,22,24)
• InChIKey: GTXPTIGCFINKPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide
• IUPAC Traditional name: N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-2-oxo-1H-quinoline-4-carboxamide
• Synonyms: N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxo-1,2-dihydro-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.364728
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8726365
• LogD (pH = 7.4): 1.5833789
• Log P: 1.610633
• Molar Refractivity: 97.0073 cm^3
• Polarizability: 35.348732 Å^3
• Polar Surface Area: 75.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.59
• LOG S: -2.98
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 3