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

• ChemBase ID: 183753
• Molecular Formular: C14H14N2O3
• Molecular Mass: 258.27256
• Monoisotopic Mass: 258.10044232
• SMILES: c12c(=O)n(c3c(c1OCC(=O)N2)cccc3)CCC
• Canonical SMILES: CCCn1c(=O)c2NC(=O)COc2c2c1cccc2
• InChI: InChI=1S/C14H14N2O3/c1-2-7-16-10-6-4-3-5-9(10)13-12(14(16)18)15-11(17)8-19-13/h3-6H,2,7-8H2,1H3,(H,15,17)
• InChIKey: DNOXDRQAXFWMTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164239663
• PubChem CID: 775799

CALCULATED PROPERTIES

• Acid pKa: 11.157405
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.33598873
• LogD (pH = 7.4): 0.33592236
• Log P: 0.33598962
• Molar Refractivity: 70.8208 cm^3
• Polarizability: 26.540575 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds