methyl[(8-methylquinolin-5-yl)methyl][3-(oxolan-2-yl)propyl]amine

• ChemBase ID: 575851
• Molecular Formular: C19H26N2O
• Molecular Mass: 298.42254
• Monoisotopic Mass: 298.20451346
• SMILES: c12c(c(CN(CCCC3OCCC3)C)ccc2C)cccn1
• Canonical SMILES: CN(Cc1ccc(c2c1cccn2)C)CCCC1CCCO1
• InChI: InChI=1S/C19H26N2O/c1-15-9-10-16(18-8-3-11-20-19(15)18)14-21(2)12-4-6-17-7-5-13-22-17/h3,8-11,17H,4-7,12-14H2,1-2H3
• InChIKey: QWGLLUPNNDEAQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(8-methylquinolin-5-yl)methyl][3-(oxolan-2-yl)propyl]amine
• IUPAC Traditional name: methyl[(8-methylquinolin-5-yl)methyl][3-(oxolan-2-yl)propyl]amine
• Synonyms: N-methyl-N-[(8-methylquinolin-5-yl)methyl]-3-(tetrahydrofuran-2-yl)propan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.12697561
• LogD (pH = 7.4): 1.0944884
• Log P: 3.58163
• Molar Refractivity: 91.3279 cm^3
• Polarizability: 36.844128 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.07
• LOG S: -2.99
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 6