2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoroquinolin-4-ol

• ChemBase ID: 619712
• Molecular Formular: C17H21FN2O2
• Molecular Mass: 304.3592432
• Monoisotopic Mass: 304.15870614
• SMILES: c12c(nc(cc1O)CN1CCC(CC1)OCC)ccc(c2)F
• Canonical SMILES: CCOC1CCN(CC1)Cc1cc(O)c2c(n1)ccc(c2)F
• InChI: InChI=1S/C17H21FN2O2/c1-2-22-14-5-7-20(8-6-14)11-13-10-17(21)15-9-12(18)3-4-16(15)19-13/h3-4,9-10,14H,2,5-8,11H2,1H3,(H,19,21)
• InChIKey: WNEIYNKGYRJZMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoroquinolin-4-ol
• IUPAC Traditional name: 2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoroquinolin-4-ol
• Synonyms: 2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoroquinolin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.956656
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6832195
• LogD (pH = 7.4): 2.116458
• Log P: 2.3108997
• Molar Refractivity: 83.4212 cm^3
• Polarizability: 33.41123 Å^3
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.78
• LOG S: -2.79
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 4