7-(3-{[2-(dimethylamino)ethyl](methyl)amino}piperidine-1-carbonyl)quinolin-8-ol

• ChemBase ID: 600626
• Molecular Formular: C20H28N4O2
• Molecular Mass: 356.46192
• Monoisotopic Mass: 356.22122616
• SMILES: c1(C(=O)N2CC(N(CCN(C)C)C)CCC2)c(c2ncccc2cc1)O
• Canonical SMILES: CN(CCN(C1CCCN(C1)C(=O)c1ccc2c(c1O)nccc2)C)C
• InChI: InChI=1S/C20H28N4O2/c1-22(2)12-13-23(3)16-7-5-11-24(14-16)20(26)17-9-8-15-6-4-10-21-18(15)19(17)25/h4,6,8-10,16,25H,5,7,11-14H2,1-3H3
• InChIKey: MKVFJTCJKCSRTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(3-{[2-(dimethylamino)ethyl](methyl)amino}piperidine-1-carbonyl)quinolin-8-ol
• IUPAC Traditional name: 7-(3-{[2-(dimethylamino)ethyl](methyl)amino}piperidine-1-carbonyl)quinolin-8-ol
• Synonyms: 7-({3-[[2-(dimethylamino)ethyl](methyl)amino]-1-piperidinyl}carbonyl)-8-quinolinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.7542706
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.0514311
• LogD (pH = 7.4): 0.66939086
• Log P: 1.0183965
• Molar Refractivity: 104.0814 cm^3
• Polarizability: 41.13727 Å^3
• Polar Surface Area: 59.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.28
• LOG S: -2.31
• Polar Surface Area: 59.91 Å^2
• Rotatable Bonds: 5