2,6-dimethyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]quinoline

• ChemBase ID: 651233
• Molecular Formular: C18H20N4O2
• Molecular Mass: 324.377
• Monoisotopic Mass: 324.1586259
• SMILES: n1c(c2c3c(nc(c2)C)ccc(c3)C)onc1CN1CCOCC1
• Canonical SMILES: Cc1ccc2c(c1)c(cc(n2)C)c1onc(n1)CN1CCOCC1
• InChI: InChI=1S/C18H20N4O2/c1-12-3-4-16-14(9-12)15(10-13(2)19-16)18-20-17(21-24-18)11-22-5-7-23-8-6-22/h3-4,9-10H,5-8,11H2,1-2H3
• InChIKey: HPODFKVDHBFNBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]quinoline
• IUPAC Traditional name: 2,6-dimethyl-4-[3-(morpholin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]quinoline
• Synonyms: 2,6-dimethyl-4-[3-(4-morpholinylmethyl)-1,2,4-oxadiazol-5-yl]quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.7312374
• LogD (pH = 7.4): 2.8084245
• Log P: 2.809502
• Molar Refractivity: 102.4576 cm^3
• Polarizability: 36.56654 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.91
• LOG S: -3.04
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 3