2-({methyl[4-(morpholin-4-yl)butyl]amino}methyl)quinolin-4-ol

• ChemBase ID: 597532
• Molecular Formular: C19H27N3O2
• Molecular Mass: 329.43658
• Monoisotopic Mass: 329.21032712
• SMILES: n1c(cc(c2c1cccc2)O)CN(CCCCN1CCOCC1)C
• Canonical SMILES: CN(Cc1cc(O)c2c(n1)cccc2)CCCCN1CCOCC1
• InChI: InChI=1S/C19H27N3O2/c1-21(8-4-5-9-22-10-12-24-13-11-22)15-16-14-19(23)17-6-2-3-7-18(17)20-16/h2-3,6-7,14H,4-5,8-13,15H2,1H3,(H,20,23)
• InChIKey: WIOPEHYIKBDNOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({methyl[4-(morpholin-4-yl)butyl]amino}methyl)quinolin-4-ol
• IUPAC Traditional name: 2-({methyl[4-(morpholin-4-yl)butyl]amino}methyl)quinolin-4-ol
• Synonyms: 2-{[methyl(4-morpholin-4-ylbutyl)amino]methyl}quinolin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.118605
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.1260862
• LogD (pH = 7.4): 1.2540846
• Log P: 2.2276702
• Molar Refractivity: 96.5843 cm^3
• Polarizability: 39.004578 Å^3
• Polar Surface Area: 48.83 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.49
• LOG S: -2.72
• Polar Surface Area: 48.83 Å^2
• Rotatable Bonds: 7