2-chloro-3-(2,6-dimethylmorpholin-4-yl)quinoxaline

• ChemBase ID: 239881
• Molecular Formular: C14H16ClN3O
• Molecular Mass: 277.74934
• Monoisotopic Mass: 277.09818983
• SMILES: c1(N2CC(OC(C2)C)C)nc2c(nc1Cl)cccc2
• Canonical SMILES: CC1OC(C)CN(C1)c1nc2ccccc2nc1Cl
• InChI: InChI=1S/C14H16ClN3O/c1-9-7-18(8-10(2)19-9)14-13(15)16-11-5-3-4-6-12(11)17-14/h3-6,9-10H,7-8H2,1-2H3
• InChIKey: PXSAXEDZFNRAOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-(2,6-dimethylmorpholin-4-yl)quinoxaline
• IUPAC Traditional name: 2-chloro-3-(2,6-dimethylmorpholin-4-yl)quinoxaline
• Synonyms: 2-chloro-3-(2,6-dimethylmorpholin-4-yl)quinoxaline

Database IDs

• MDL Number: MFCD07364352
• PubChem SID: 164295791
• PubChem CID: 16637149

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.4403577
• LogD (pH = 7.4): 3.44045
• Log P: 3.4404511
• Molar Refractivity: 75.9707 cm^3
• Polarizability: 30.14421 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.263

Product Information

• Purity: 95%