N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide

• ChemBase ID: 594030
• Molecular Formular: C18H18N4O2
• Molecular Mass: 322.36112
• Monoisotopic Mass: 322.14297584
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1cc(=O)n(c2c1cccc2)C
• Canonical SMILES: O=C(c1cc(=O)n(c2c1cccc2)C)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C18H18N4O2/c1-21-14-7-3-2-6-12(14)13(10-17(21)23)18(24)20-16-11-19-15-8-4-5-9-22(15)16/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,20,24)
• InChIKey: SLBYCWINTOGPLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-1-methyl-2-oxoquinoline-4-carboxamide
• Synonyms: 1-methyl-2-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,2-dihydroquinoline-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.688587
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.71071565
• LogD (pH = 7.4): 1.3471442
• Log P: 1.3757309
• Molar Refractivity: 91.7134 cm^3
• Polarizability: 33.921997 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.84
• LOG S: -3.12
• Polar Surface Area: 68.92 Å^2
• Rotatable Bonds: 2