2,6-dimethyl-2H,3H,4H,5H,6H-[1,4]oxazino[3,2-c]quinoline-3,5-dione

• ChemBase ID: 183045
• Molecular Formular: C13H12N2O3
• Molecular Mass: 244.24598
• Monoisotopic Mass: 244.08479225
• SMILES: c12c(c3c(n(c1=O)C)cccc3)OC(C(=O)N2)C
• Canonical SMILES: O=C1Nc2c(OC1C)c1ccccc1n(c2=O)C
• InChI: InChI=1S/C13H12N2O3/c1-7-12(16)14-10-11(18-7)8-5-3-4-6-9(8)15(2)13(10)17/h3-7H,1-2H3,(H,14,16)
• InChIKey: LQOJLQVNJAVXIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-2H,3H,4H,5H,6H-[1,4]oxazino[3,2-c]quinoline-3,5-dione
• IUPAC Traditional name: 2,6-dimethyl-2H,4H-[1,4]oxazino[3,2-c]quinoline-3,5-dione

Database IDs

• PubChem SID: 164238955
• PubChem CID: 3094897

CALCULATED PROPERTIES

• Acid pKa: 11.125577
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.025422586
• LogD (pH = 7.4): 0.025351137
• Log P: 0.02542351
• Molar Refractivity: 66.0421 cm^3
• Polarizability: 24.7064 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds