N,2,6-trimethyl-N-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)quinoline-4-carboxamide

• ChemBase ID: 839504
• Molecular Formular: C22H22N4O
• Molecular Mass: 358.43628
• Monoisotopic Mass: 358.17936134
• SMILES: c1(n2c(nc1C)cccc2)CN(C(=O)c1c2c(nc(c1)C)ccc(c2)C)C
• Canonical SMILES: Cc1ccc2c(c1)c(cc(n2)C)C(=O)N(Cc1c(C)nc2n1cccc2)C
• InChI: InChI=1S/C22H22N4O/c1-14-8-9-19-17(11-14)18(12-15(2)23-19)22(27)25(4)13-20-16(3)24-21-7-5-6-10-26(20)21/h5-12H,13H2,1-4H3
• InChIKey: XWDIDCXYWADWMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,6-trimethyl-N-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)quinoline-4-carboxamide
• IUPAC Traditional name: N,2,6-trimethyl-N-({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)quinoline-4-carboxamide
• Synonyms: N,2,6-trimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9606227
• LogD (pH = 7.4): 2.613789
• Log P: 2.6358325
• Molar Refractivity: 107.4438 cm^3
• Polarizability: 41.326527 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.82
• LOG S: -5.33
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 3