N-[2-(4-phenyl-1H-imidazol-5-yl)quinolin-6-yl]acetamide

• ChemBase ID: 680439
• Molecular Formular: C20H16N4O
• Molecular Mass: 328.36724
• Monoisotopic Mass: 328.13241115
• SMILES: c1(c(nc[nH]1)c1ccccc1)c1nc2c(cc(NC(=O)C)cc2)cc1
• Canonical SMILES: CC(=O)Nc1ccc2c(c1)ccc(n2)c1[nH]cnc1c1ccccc1
• InChI: InChI=1S/C20H16N4O/c1-13(25)23-16-8-10-17-15(11-16)7-9-18(24-17)20-19(21-12-22-20)14-5-3-2-4-6-14/h2-12H,1H3,(H,21,22)(H,23,25)
• InChIKey: KYDFLRZCJMFSFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-phenyl-1H-imidazol-5-yl)quinolin-6-yl]acetamide
• IUPAC Traditional name: N-[2-(5-phenyl-3H-imidazol-4-yl)quinolin-6-yl]acetamide
• Synonyms: N-[2-(4-phenyl-1H-imidazol-5-yl)quinolin-6-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.802598
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.1299856
• LogD (pH = 7.4): 3.2347248
• Log P: 3.2362933
• Molar Refractivity: 97.203 cm^3
• Polarizability: 40.700626 Å^3
• Polar Surface Area: 70.67 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: 4.04
• LOG S: -5.04
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 3