7-{3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl}quinolin-8-ol

• ChemBase ID: 839515
• Molecular Formular: C23H23FN2O2
• Molecular Mass: 378.4393232
• Monoisotopic Mass: 378.17435621
• SMILES: c1(C(=O)N2CC(CCc3c(F)cccc3)CCC2)c(c2ncccc2cc1)O
• Canonical SMILES: O=C(c1ccc2c(c1O)nccc2)N1CCCC(C1)CCc1ccccc1F
• InChI: InChI=1S/C23H23FN2O2/c24-20-8-2-1-6-17(20)10-9-16-5-4-14-26(15-16)23(28)19-12-11-18-7-3-13-25-21(18)22(19)27/h1-3,6-8,11-13,16,27H,4-5,9-10,14-15H2
• InChIKey: ASSOEBDSZUQOQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl}quinolin-8-ol
• IUPAC Traditional name: 7-{3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl}quinolin-8-ol
• Synonyms: 7-({3-[2-(2-fluorophenyl)ethyl]-1-piperidinyl}carbonyl)-8-quinolinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.7656007
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.1488457
• LogD (pH = 7.4): 5.0011373
• Log P: 5.1563096
• Molar Refractivity: 106.959 cm^3
• Polarizability: 41.715565 Å^3
• Polar Surface Area: 53.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.35
• LOG S: -5.09
• Polar Surface Area: 53.43 Å^2
• Rotatable Bonds: 4