7-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]-2-(3-methylphenyl)quinoline

• ChemBase ID: 322792
• Molecular Formular: C24H28N2O2
• Molecular Mass: 376.49132
• Monoisotopic Mass: 376.21507815
• SMILES: n1c(c(cc2c1cc(cc2)OC)CN1CCC(CC1)OC)c1cc(ccc1)C
• Canonical SMILES: COC1CCN(CC1)Cc1cc2ccc(cc2nc1c1cccc(c1)C)OC
• InChI: InChI=1S/C24H28N2O2/c1-17-5-4-6-19(13-17)24-20(16-26-11-9-21(27-2)10-12-26)14-18-7-8-22(28-3)15-23(18)25-24/h4-8,13-15,21H,9-12,16H2,1-3H3
• InChIKey: GTIJGYFRDUEZJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]-2-(3-methylphenyl)quinoline
• IUPAC Traditional name: 7-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]-2-(3-methylphenyl)quinoline
• Synonyms: 7-methoxy-3-[(4-methoxy-1-piperidinyl)methyl]-2-(3-methylphenyl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1057326
• LogD (pH = 7.4): 2.55111
• Log P: 4.422309
• Molar Refractivity: 113.2661 cm^3
• Polarizability: 46.67906 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.34
• LOG S: -4.64
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 5