N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2,7,8-trimethylquinoline-4-carboxamide

• ChemBase ID: 373201
• Molecular Formular: C20H24N4O
• Molecular Mass: 336.43076
• Monoisotopic Mass: 336.19501141
• SMILES: c12c(c(C(=O)NCCn3c(ncc3)CC)cc(n1)C)ccc(c2C)C
• Canonical SMILES: CCc1nccn1CCNC(=O)c1cc(C)nc2c1ccc(c2C)C
• InChI: InChI=1S/C20H24N4O/c1-5-18-21-8-10-24(18)11-9-22-20(25)17-12-14(3)23-19-15(4)13(2)6-7-16(17)19/h6-8,10,12H,5,9,11H2,1-4H3,(H,22,25)
• InChIKey: URLWQLBYDATTHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2,7,8-trimethylquinoline-4-carboxamide
• IUPAC Traditional name: N-[2-(2-ethylimidazol-1-yl)ethyl]-2,7,8-trimethylquinoline-4-carboxamide
• Synonyms: N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2,7,8-trimethyl-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.304349
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0908306
• LogD (pH = 7.4): 2.8989043
• Log P: 3.0939572
• Molar Refractivity: 99.6364 cm^3
• Polarizability: 38.779636 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.83
• LOG S: -4.07
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 5