N-(3-methoxypropyl)-N-[(8-methoxyquinolin-2-yl)methyl]-1-methylpiperidin-4-amine

• ChemBase ID: 607955
• Molecular Formular: C21H31N3O2
• Molecular Mass: 357.48974
• Monoisotopic Mass: 357.24162725
• SMILES: n1c2c(OC)cccc2ccc1CN(C1CCN(CC1)C)CCCOC
• Canonical SMILES: COCCCN(C1CCN(CC1)C)Cc1ccc2c(n1)c(OC)ccc2
• InChI: InChI=1S/C21H31N3O2/c1-23-13-10-19(11-14-23)24(12-5-15-25-2)16-18-9-8-17-6-4-7-20(26-3)21(17)22-18/h4,6-9,19H,5,10-16H2,1-3H3
• InChIKey: XVIKIBARIVLWKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxypropyl)-N-[(8-methoxyquinolin-2-yl)methyl]-1-methylpiperidin-4-amine
• IUPAC Traditional name: N-(3-methoxypropyl)-N-[(8-methoxyquinolin-2-yl)methyl]-1-methylpiperidin-4-amine
• Synonyms: N-(3-methoxypropyl)-N-[(8-methoxy-2-quinolinyl)methyl]-1-methyl-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.616782
• LogD (pH = 7.4): -0.017413734
• Log P: 2.0358882
• Molar Refractivity: 105.823 cm^3
• Polarizability: 42.776066 Å^3
• Polar Surface Area: 37.83 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.42
• LOG S: -2.87
• Polar Surface Area: 37.83 Å^2
• Rotatable Bonds: 8