N-methyl-N-[(6-methylquinolin-5-yl)methyl]oxan-4-amine

• ChemBase ID: 840477
• Molecular Formular: C17H22N2O
• Molecular Mass: 270.36938
• Monoisotopic Mass: 270.17321333
• SMILES: c1(CN(C2CCOCC2)C)c2c(nccc2)ccc1C
• Canonical SMILES: CN(C1CCOCC1)Cc1c(C)ccc2c1cccn2
• InChI: InChI=1S/C17H22N2O/c1-13-5-6-17-15(4-3-9-18-17)16(13)12-19(2)14-7-10-20-11-8-14/h3-6,9,14H,7-8,10-12H2,1-2H3
• InChIKey: VOPHYDVTEOWVFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(6-methylquinolin-5-yl)methyl]oxan-4-amine
• IUPAC Traditional name: N-methyl-N-[(6-methylquinolin-5-yl)methyl]oxan-4-amine
• Synonyms: N-methyl-N-[(6-methylquinolin-5-yl)methyl]tetrahydro-2H-pyran-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.91963476
• LogD (pH = 7.4): -0.04779085
• Log P: 2.5469048
• Molar Refractivity: 82.0387 cm^3
• Polarizability: 33.148926 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.47
• LOG S: -2.27
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 3