8-chloro-2-({[2-(dimethylamino)ethyl](oxolan-2-ylmethyl)amino}methyl)quinolin-4-ol

• ChemBase ID: 384968
• Molecular Formular: C19H26ClN3O2
• Molecular Mass: 363.88164
• Monoisotopic Mass: 363.17135477
• SMILES: c12nc(cc(c1cccc2Cl)O)CN(CC1OCCC1)CCN(C)C
• Canonical SMILES: CN(CCN(Cc1cc(O)c2c(n1)c(Cl)ccc2)CC1CCCO1)C
• InChI: InChI=1S/C19H26ClN3O2/c1-22(2)8-9-23(13-15-5-4-10-25-15)12-14-11-18(24)16-6-3-7-17(20)19(16)21-14/h3,6-7,11,15H,4-5,8-10,12-13H2,1-2H3,(H,21,24)
• InChIKey: PTEUVAOLQDQZFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2-({[2-(dimethylamino)ethyl](oxolan-2-ylmethyl)amino}methyl)quinolin-4-ol
• IUPAC Traditional name: 8-chloro-2-({[2-(dimethylamino)ethyl](oxolan-2-ylmethyl)amino}methyl)quinolin-4-ol
• Synonyms: 8-chloro-2-{[[2-(dimethylamino)ethyl](tetrahydrofuran-2-ylmethyl)amino]methyl}quinolin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.97859
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.36287117
• LogD (pH = 7.4): 1.1831131
• Log P: 2.4978774
• Molar Refractivity: 101.0593 cm^3
• Polarizability: 40.86432 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: 3.05
• LOG S: -3.45
• Polar Surface Area: 48.83 Å^2
• Rotatable Bonds: 7