6-ethyl-2-methyl-4-[2-(pyridin-3-yl)piperidine-1-carbonyl]quinoline

• ChemBase ID: 580032
• Molecular Formular: C23H25N3O
• Molecular Mass: 359.4641
• Monoisotopic Mass: 359.19976244
• SMILES: C(=O)(N1C(c2cnccc2)CCCC1)c1c2c(nc(c1)C)ccc(c2)CC
• Canonical SMILES: CCc1ccc2c(c1)c(cc(n2)C)C(=O)N1CCCCC1c1cccnc1
• InChI: InChI=1S/C23H25N3O/c1-3-17-9-10-21-19(14-17)20(13-16(2)25-21)23(27)26-12-5-4-8-22(26)18-7-6-11-24-15-18/h6-7,9-11,13-15,22H,3-5,8,12H2,1-2H3
• InChIKey: FKMNMIPDOUSSSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-2-methyl-4-[2-(pyridin-3-yl)piperidine-1-carbonyl]quinoline
• IUPAC Traditional name: 6-ethyl-2-methyl-4-[2-(pyridin-3-yl)piperidine-1-carbonyl]quinoline
• Synonyms: 6-ethyl-2-methyl-4-{[2-(3-pyridinyl)-1-piperidinyl]carbonyl}quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8617857
• LogD (pH = 7.4): 3.934173
• Log P: 3.935187
• Molar Refractivity: 107.3527 cm^3
• Polarizability: 42.35805 Å^3
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.06
• LOG S: -3.13
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 3