8-methoxy-2-{[1-(morpholin-4-yl)hex-5-en-2-yl]oxy}quinoline

• ChemBase ID: 858489
• Molecular Formular: C20H26N2O3
• Molecular Mass: 342.43204
• Monoisotopic Mass: 342.1943427
• SMILES: n1c2c(OC)cccc2ccc1OC(CN1CCOCC1)CCC=C
• Canonical SMILES: C=CCCC(Oc1ccc2c(n1)c(OC)ccc2)CN1CCOCC1
• InChI: InChI=1S/C20H26N2O3/c1-3-4-7-17(15-22-11-13-24-14-12-22)25-19-10-9-16-6-5-8-18(23-2)20(16)21-19/h3,5-6,8-10,17H,1,4,7,11-15H2,2H3
• InChIKey: VQCYCDVVEUVOGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-2-{[1-(morpholin-4-yl)hex-5-en-2-yl]oxy}quinoline
• IUPAC Traditional name: 8-methoxy-2-{[1-(morpholin-4-yl)hex-5-en-2-yl]oxy}quinoline
• Synonyms: 8-methoxy-2-{[1-(morpholin-4-ylmethyl)pent-4-en-1-yl]oxy}quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.17507
• LogD (pH = 7.4): 3.5734203
• Log P: 3.7344062
• Molar Refractivity: 98.5017 cm^3
• Polarizability: 39.82468 Å^3
• Polar Surface Area: 43.82 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: 3.24
• LOG S: -3.46
• Polar Surface Area: 43.82 Å^2
• Rotatable Bonds: 8