2,8-dimethyl-4-[3-(2-methylphenyl)piperidine-1-carbonyl]quinoline

• ChemBase ID: 817615
• Molecular Formular: C24H26N2O
• Molecular Mass: 358.47604
• Monoisotopic Mass: 358.20451346
• SMILES: C(=O)(c1c2c(nc(c1)C)c(ccc2)C)N1CC(c2c(C)cccc2)CCC1
• Canonical SMILES: Cc1cc(C(=O)N2CCCC(C2)c2ccccc2C)c2c(n1)c(C)ccc2
• InChI: InChI=1S/C24H26N2O/c1-16-8-4-5-11-20(16)19-10-7-13-26(15-19)24(27)22-14-18(3)25-23-17(2)9-6-12-21(22)23/h4-6,8-9,11-12,14,19H,7,10,13,15H2,1-3H3
• InChIKey: DFIFTSHMEMHYMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,8-dimethyl-4-[3-(2-methylphenyl)piperidine-1-carbonyl]quinoline
• IUPAC Traditional name: 2,8-dimethyl-4-[3-(2-methylphenyl)piperidine-1-carbonyl]quinoline
• Synonyms: 2,8-dimethyl-4-{[3-(2-methylphenyl)-1-piperidinyl]carbonyl}quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.9323797
• LogD (pH = 7.4): 4.9361997
• Log P: 4.936249
• Molar Refractivity: 110.2336 cm^3
• Polarizability: 43.216244 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.47
• LOG S: -5.63
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 2