6-fluoro-2-({2-[2-(morpholin-4-yl)ethyl]piperidin-1-yl}methyl)quinolin-4-ol

• ChemBase ID: 420538
• Molecular Formular: C21H28FN3O2
• Molecular Mass: 373.4643232
• Monoisotopic Mass: 373.21655537
• SMILES: c12c(nc(cc1O)CN1C(CCN3CCOCC3)CCCC1)ccc(c2)F
• Canonical SMILES: Fc1ccc2c(c1)c(O)cc(n2)CN1CCCCC1CCN1CCOCC1
• InChI: InChI=1S/C21H28FN3O2/c22-16-4-5-20-19(13-16)21(26)14-17(23-20)15-25-7-2-1-3-18(25)6-8-24-9-11-27-12-10-24/h4-5,13-14,18H,1-3,6-12,15H2,(H,23,26)
• InChIKey: CDLFBVHHFDPBJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-2-({2-[2-(morpholin-4-yl)ethyl]piperidin-1-yl}methyl)quinolin-4-ol
• IUPAC Traditional name: 6-fluoro-2-({2-[2-(morpholin-4-yl)ethyl]piperidin-1-yl}methyl)quinolin-4-ol
• Synonyms: 6-fluoro-2-{[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methyl}quinolin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.086443
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.3232958
• LogD (pH = 7.4): 1.9314775
• Log P: 2.7631428
• Molar Refractivity: 103.9683 cm^3
• Polarizability: 41.576714 Å^3
• Polar Surface Area: 48.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.77
• LOG S: -3.28
• Polar Surface Area: 48.83 Å^2
• Rotatable Bonds: 5