6-methyl-2-({[3-(oxolan-3-yl)propyl]amino}methyl)quinolin-4-ol

• ChemBase ID: 460808
• Molecular Formular: C18H24N2O2
• Molecular Mass: 300.39536
• Monoisotopic Mass: 300.18377802
• SMILES: c12c(nc(cc1O)CNCCCC1COCC1)ccc(c2)C
• Canonical SMILES: Cc1ccc2c(c1)c(O)cc(n2)CNCCCC1COCC1
• InChI: InChI=1S/C18H24N2O2/c1-13-4-5-17-16(9-13)18(21)10-15(20-17)11-19-7-2-3-14-6-8-22-12-14/h4-5,9-10,14,19H,2-3,6-8,11-12H2,1H3,(H,20,21)
• InChIKey: IZKUHPROPBOLIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-({[3-(oxolan-3-yl)propyl]amino}methyl)quinolin-4-ol
• IUPAC Traditional name: 6-methyl-2-({[3-(oxolan-3-yl)propyl]amino}methyl)quinolin-4-ol
• Synonyms: 6-methyl-2-({[3-(tetrahydrofuran-3-yl)propyl]amino}methyl)quinolin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.404988
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.06708897
• LogD (pH = 7.4): 1.7395726
• Log P: 2.846933
• Molar Refractivity: 87.6217 cm^3
• Polarizability: 35.556065 Å^3
• Polar Surface Area: 54.38 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.8
• LOG S: -2.77
• Polar Surface Area: 54.38 Å^2
• Rotatable Bonds: 6