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

• ChemBase ID: 821092
• Molecular Formular: C18H23N3O2
• Molecular Mass: 313.39412
• Monoisotopic Mass: 313.17902699
• SMILES: n1c(OC(CN2CCOCC2)CCC=C)cnc2c1cccc2
• Canonical SMILES: C=CCCC(Oc1cnc2c(n1)cccc2)CN1CCOCC1
• InChI: InChI=1S/C18H23N3O2/c1-2-3-6-15(14-21-9-11-22-12-10-21)23-18-13-19-16-7-4-5-8-17(16)20-18/h2,4-5,7-8,13,15H,1,3,6,9-12,14H2
• InChIKey: YBTYJBDOGBBGQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6728686
• LogD (pH = 7.4): 2.9474015
• Log P: 3.0602555
• Molar Refractivity: 89.5096 cm^3
• Polarizability: 36.416824 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.13
• LOG S: -3.15
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 7