2-({[3-(cyclopentyloxy)propyl]amino}methyl)-8-fluoroquinolin-4-ol

• ChemBase ID: 589727
• Molecular Formular: C18H23FN2O2
• Molecular Mass: 318.3858232
• Monoisotopic Mass: 318.17435621
• SMILES: c12c(c(cc(n1)CNCCCOC1CCCC1)O)cccc2F
• Canonical SMILES: Fc1cccc2c1nc(CNCCCOC1CCCC1)cc2O
• InChI: InChI=1S/C18H23FN2O2/c19-16-8-3-7-15-17(22)11-13(21-18(15)16)12-20-9-4-10-23-14-5-1-2-6-14/h3,7-8,11,14,20H,1-2,4-6,9-10,12H2,(H,21,22)
• InChIKey: QTAHXXODIIZCHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({[3-(cyclopentyloxy)propyl]amino}methyl)-8-fluoroquinolin-4-ol
• IUPAC Traditional name: 2-({[3-(cyclopentyloxy)propyl]amino}methyl)-8-fluoroquinolin-4-ol
• Synonyms: 2-({[3-(cyclopentyloxy)propyl]amino}methyl)-8-fluoroquinolin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.141661
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.36947298
• LogD (pH = 7.4): 2.076553
• Log P: 2.9775438
• Molar Refractivity: 87.2245 cm^3
• Polarizability: 35.259193 Å^3
• Polar Surface Area: 54.38 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.14
• LOG S: -3.19
• Polar Surface Area: 54.38 Å^2
• Rotatable Bonds: 7