6-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]quinolin-4-ol

• ChemBase ID: 693503
• Molecular Formular: C18H23FN2O2
• Molecular Mass: 318.3858232
• Monoisotopic Mass: 318.17435621
• SMILES: c12c(nc(cc1O)CN1CC(OCCC)CCC1)ccc(c2)F
• Canonical SMILES: CCCOC1CCCN(C1)Cc1cc(O)c2c(n1)ccc(c2)F
• InChI: InChI=1S/C18H23FN2O2/c1-2-8-23-15-4-3-7-21(12-15)11-14-10-18(22)16-9-13(19)5-6-17(16)20-14/h5-6,9-10,15H,2-4,7-8,11-12H2,1H3,(H,20,22)
• InChIKey: MFDLHIVLGJBAGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]quinolin-4-ol
• IUPAC Traditional name: 6-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]quinolin-4-ol
• Synonyms: 6-fluoro-2-[(3-propoxypiperidin-1-yl)methyl]quinolin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.953034
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7688237
• LogD (pH = 7.4): 3.1327093
• Log P: 3.2908251
• Molar Refractivity: 87.7244 cm^3
• Polarizability: 35.25297 Å^3
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.24
• LOG S: -3.28
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 5