2-methyl-3-{[2-(pyridin-3-yl)morpholin-4-yl]methyl}quinoxaline

• ChemBase ID: 575502
• Molecular Formular: C19H20N4O
• Molecular Mass: 320.3883
• Monoisotopic Mass: 320.16371128
• SMILES: n1c(c(nc2c1cccc2)C)CN1CC(c2cnccc2)OCC1
• Canonical SMILES: Cc1nc2ccccc2nc1CN1CCOC(C1)c1cccnc1
• InChI: InChI=1S/C19H20N4O/c1-14-18(22-17-7-3-2-6-16(17)21-14)12-23-9-10-24-19(13-23)15-5-4-8-20-11-15/h2-8,11,19H,9-10,12-13H2,1H3
• InChIKey: NBGHDDPHGOREON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-3-{[2-(pyridin-3-yl)morpholin-4-yl]methyl}quinoxaline
• IUPAC Traditional name: 2-methyl-3-{[2-(pyridin-3-yl)morpholin-4-yl]methyl}quinoxaline
• Synonyms: 2-methyl-3-[(2-pyridin-3-ylmorpholin-4-yl)methyl]quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2700088
• LogD (pH = 7.4): 1.7885135
• Log P: 1.8013844
• Molar Refractivity: 91.2628 cm^3
• Polarizability: 37.23124 Å^3
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.22
• LOG S: -0.27
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 3