2,7,8-trimethyl-4-[2-(pyridin-2-yl)piperidine-1-carbonyl]quinoline

• ChemBase ID: 669677
• Molecular Formular: C23H25N3O
• Molecular Mass: 359.4641
• Monoisotopic Mass: 359.19976244
• SMILES: C(=O)(N1C(c2ncccc2)CCCC1)c1c2c(nc(c1)C)c(c(cc2)C)C
• Canonical SMILES: Cc1cc(C(=O)N2CCCCC2c2ccccn2)c2c(n1)c(C)c(cc2)C
• InChI: InChI=1S/C23H25N3O/c1-15-10-11-18-19(14-16(2)25-22(18)17(15)3)23(27)26-13-7-5-9-21(26)20-8-4-6-12-24-20/h4,6,8,10-12,14,21H,5,7,9,13H2,1-3H3
• InChIKey: NLBWRKJMVKKPEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7,8-trimethyl-4-[2-(pyridin-2-yl)piperidine-1-carbonyl]quinoline
• IUPAC Traditional name: 2,7,8-trimethyl-4-[2-(pyridin-2-yl)piperidine-1-carbonyl]quinoline
• Synonyms: 2,7,8-trimethyl-4-{[2-(2-pyridinyl)-1-piperidinyl]carbonyl}quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.214569
• LogD (pH = 7.4): 4.2374053
• Log P: 4.237701
• Molar Refractivity: 107.3458 cm^3
• Polarizability: 42.27984 Å^3
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.99
• LOG S: -3.07
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 2