8-methoxy-2-[3-(3-methoxypropyl)piperidin-1-yl]quinoline

• ChemBase ID: 402487
• Molecular Formular: C19H26N2O2
• Molecular Mass: 314.42194
• Monoisotopic Mass: 314.19942808
• SMILES: n1c(N2CC(CCC2)CCCOC)ccc2c1c(OC)ccc2
• Canonical SMILES: COCCCC1CCCN(C1)c1ccc2c(n1)c(OC)ccc2
• InChI: InChI=1S/C19H26N2O2/c1-22-13-5-7-15-6-4-12-21(14-15)18-11-10-16-8-3-9-17(23-2)19(16)20-18/h3,8-11,15H,4-7,12-14H2,1-2H3
• InChIKey: SSCWSYCJCDAHGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-2-[3-(3-methoxypropyl)piperidin-1-yl]quinoline
• IUPAC Traditional name: 8-methoxy-2-[3-(3-methoxypropyl)piperidin-1-yl]quinoline
• Synonyms: 8-methoxy-2-[3-(3-methoxypropyl)-1-piperidinyl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.9723995
• LogD (pH = 7.4): 3.9864724
• Log P: 3.9866548
• Molar Refractivity: 93.6801 cm^3
• Polarizability: 37.16069 Å^3
• Polar Surface Area: 34.59 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: 2.21
• LOG S: -3.38
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 6