N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2-(4-methylphenyl)quinoline-4-carboxamide

• ChemBase ID: 856009
• Molecular Formular: C24H24N4O
• Molecular Mass: 384.47356
• Monoisotopic Mass: 384.19501141
• SMILES: c1(cc(nc2c1cccc2)c1ccc(cc1)C)C(=O)NCCn1c(ncc1)CC
• Canonical SMILES: CCc1nccn1CCNC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)C
• InChI: InChI=1S/C24H24N4O/c1-3-23-25-12-14-28(23)15-13-26-24(29)20-16-22(18-10-8-17(2)9-11-18)27-21-7-5-4-6-19(20)21/h4-12,14,16H,3,13,15H2,1-2H3,(H,26,29)
• InChIKey: RGQBARCXKZXGFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2-(4-methylphenyl)quinoline-4-carboxamide
• IUPAC Traditional name: N-[2-(2-ethylimidazol-1-yl)ethyl]-2-(4-methylphenyl)quinoline-4-carboxamide
• Synonyms: N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2-(4-methylphenyl)-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.260225
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.4890172
• LogD (pH = 7.4): 4.2873144
• Log P: 4.4822416
• Molar Refractivity: 114.7679 cm^3
• Polarizability: 46.27868 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.73
• LOG S: -5.19
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 6