6-chloro-2,3-diethylquinoxaline

• ChemBase ID: 78916
• Molecular Formular: C12H13ClN2
• Molecular Mass: 220.69802
• Monoisotopic Mass: 220.07672611
• SMILES: n1c2c(nc(c1CC)CC)ccc(c2)Cl
• Canonical SMILES: CCc1nc2cc(Cl)ccc2nc1CC
• InChI: InChI=1S/C12H13ClN2/c1-3-9-10(4-2)15-12-7-8(13)5-6-11(12)14-9/h5-7H,3-4H2,1-2H3
• InChIKey: ORQLDDMMFLBRPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2,3-diethylquinoxaline
• IUPAC Traditional name: 6-chloro-2,3-diethylquinoxaline
• Synonyms: 6-chloro-2,3-diethylquinoxaline

Database IDs

• MDL Number: MFCD00116951
• PubChem SID: 162043679
• PubChem CID: 2774428

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5669065
• LogD (pH = 7.4): 3.5669348
• Log P: 3.566935
• Molar Refractivity: 60.692 cm^3
• Polarizability: 25.137579 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true