8-methoxy-2-[4-phenyl-1-(piperidin-4-yl)-1H-imidazol-5-yl]quinoline

• ChemBase ID: 574619
• Molecular Formular: C24H24N4O
• Molecular Mass: 384.47356
• Monoisotopic Mass: 384.19501141
• SMILES: c1(n(cnc1c1ccccc1)C1CCNCC1)c1nc2c(OC)cccc2cc1
• Canonical SMILES: COc1cccc2c1nc(cc2)c1n(cnc1c1ccccc1)C1CCNCC1
• InChI: InChI=1S/C24H24N4O/c1-29-21-9-5-8-18-10-11-20(27-22(18)21)24-23(17-6-3-2-4-7-17)26-16-28(24)19-12-14-25-15-13-19/h2-11,16,19,25H,12-15H2,1H3
• InChIKey: IMLHVIHZLQNWAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-2-[4-phenyl-1-(piperidin-4-yl)-1H-imidazol-5-yl]quinoline
• IUPAC Traditional name: 8-methoxy-2-[5-phenyl-3-(piperidin-4-yl)imidazol-4-yl]quinoline
• Synonyms: 8-methoxy-2-(4-phenyl-1-piperidin-4-yl-1H-imidazol-5-yl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.4091149
• LogD (pH = 7.4): 1.0949553
• Log P: 3.708346
• Molar Refractivity: 113.8563 cm^3
• Polarizability: 48.30377 Å^3
• Polar Surface Area: 51.97 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.65
• LOG S: -4.11
• Polar Surface Area: 51.97 Å^2
• Rotatable Bonds: 4