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

• ChemBase ID: 697178
• Molecular Formular: C23H25N3O
• Molecular Mass: 359.4641
• Monoisotopic Mass: 359.19976244
• SMILES: C(=O)(N1C(c2ncccc2)CCCC1)c1c2c(nc(c1)C)ccc(c2)CC
• Canonical SMILES: CCc1ccc2c(c1)c(cc(n2)C)C(=O)N1CCCCC1c1ccccn1
• InChI: InChI=1S/C23H25N3O/c1-3-17-10-11-20-18(15-17)19(14-16(2)25-20)23(27)26-13-7-5-9-22(26)21-8-4-6-12-24-21/h4,6,8,10-12,14-15,22H,3,5,7,9,13H2,1-2H3
• InChIKey: NUCVUWCDSAINHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.149801
• LogD (pH = 7.4): 4.168605
• Log P: 4.168848
• Molar Refractivity: 106.9056 cm^3
• Polarizability: 42.359005 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