N-(3,4-dimethoxyphenyl)-1-(quinoline-6-carbonyl)piperidin-3-amine

• ChemBase ID: 634844
• Molecular Formular: C23H25N3O3
• Molecular Mass: 391.4629
• Monoisotopic Mass: 391.18959168
• SMILES: N1(C(=O)c2cc3c(nccc3)cc2)CC(Nc2cc(c(cc2)OC)OC)CCC1
• Canonical SMILES: COc1ccc(cc1OC)NC1CCCN(C1)C(=O)c1ccc2c(c1)cccn2
• InChI: InChI=1S/C23H25N3O3/c1-28-21-10-8-18(14-22(21)29-2)25-19-6-4-12-26(15-19)23(27)17-7-9-20-16(13-17)5-3-11-24-20/h3,5,7-11,13-14,19,25H,4,6,12,15H2,1-2H3
• InChIKey: YTMRYRQYRAXHAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dimethoxyphenyl)-1-(quinoline-6-carbonyl)piperidin-3-amine
• IUPAC Traditional name: N-(3,4-dimethoxyphenyl)-1-(quinoline-6-carbonyl)piperidin-3-amine
• Synonyms: N-(3,4-dimethoxyphenyl)-1-(6-quinolinylcarbonyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.6568954
• LogD (pH = 7.4): 2.8505754
• Log P: 2.8536139
• Molar Refractivity: 113.2715 cm^3
• Polarizability: 44.028145 Å^3
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.97
• LOG S: -4.73
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 3