8-chloro-2-[(cyclobutylamino)methyl]quinolin-4-ol

• ChemBase ID: 711286
• Molecular Formular: C14H15ClN2O
• Molecular Mass: 262.7347
• Monoisotopic Mass: 262.08729079
• SMILES: c12c(c(cc(n1)CNC1CCC1)O)cccc2Cl
• Canonical SMILES: Clc1cccc2c1nc(CNC1CCC1)cc2O
• InChI: InChI=1S/C14H15ClN2O/c15-12-6-2-5-11-13(18)7-10(17-14(11)12)8-16-9-3-1-4-9/h2,5-7,9,16H,1,3-4,8H2,(H,17,18)
• InChIKey: JPHHTFUVKWAEIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2-[(cyclobutylamino)methyl]quinolin-4-ol
• IUPAC Traditional name: 8-chloro-2-[(cyclobutylamino)methyl]quinolin-4-ol
• Synonyms: 8-chloro-2-[(cyclobutylamino)methyl]quinolin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.916208
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.34417528
• LogD (pH = 7.4): 2.0652466
• Log P: 2.856977
• Molar Refractivity: 71.303 cm^3
• Polarizability: 29.440058 Å^3
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.03
• LOG S: -2.7
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 3