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

• ChemBase ID: 182138
• Molecular Formular: C14H14N2O3
• Molecular Mass: 258.27256
• Monoisotopic Mass: 258.10044232
• SMILES: c12c(c3c(n(c1=O)CC)cccc3)OC(C(=O)N2)C
• Canonical SMILES: CCn1c(=O)c2NC(=O)C(Oc2c2c1cccc2)C
• InChI: InChI=1S/C14H14N2O3/c1-3-16-10-7-5-4-6-9(10)12-11(14(16)18)15-13(17)8(2)19-12/h4-8H,3H2,1-2H3,(H,15,17)
• InChIKey: WXTVBLIJPYRGSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164238048
• PubChem CID: 620943

CALCULATED PROPERTIES

• Acid pKa: 11.12475
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.38223052
• LogD (pH = 7.4): 0.38215896
• Log P: 0.38223147
• Molar Refractivity: 70.7907 cm^3
• Polarizability: 26.54055 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds