{4-[(6-ethoxyquinolin-2-yl)methyl]morpholin-2-yl}methanamine

• ChemBase ID: 584374
• Molecular Formular: C17H23N3O2
• Molecular Mass: 301.38342
• Monoisotopic Mass: 301.17902699
• SMILES: n1c2c(cc(cc2)OCC)ccc1CN1CC(OCC1)CN
• Canonical SMILES: CCOc1ccc2c(c1)ccc(n2)CN1CCOC(C1)CN
• InChI: InChI=1S/C17H23N3O2/c1-2-21-15-5-6-17-13(9-15)3-4-14(19-17)11-20-7-8-22-16(10-18)12-20/h3-6,9,16H,2,7-8,10-12,18H2,1H3
• InChIKey: FKKQAJCPGMEFFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[(6-ethoxyquinolin-2-yl)methyl]morpholin-2-yl}methanamine
• IUPAC Traditional name: {4-[(6-ethoxyquinolin-2-yl)methyl]morpholin-2-yl}methanamine
• Synonyms: ({4-[(6-ethoxyquinolin-2-yl)methyl]morpholin-2-yl}methyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.7417297
• LogD (pH = 7.4): -0.6104127
• Log P: 1.3971887
• Molar Refractivity: 85.9061 cm^3
• Polarizability: 35.385666 Å^3
• Polar Surface Area: 60.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.99
• LOG S: -2.09
• Polar Surface Area: 60.61 Å^2
• Rotatable Bonds: 5