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

• ChemBase ID: 182675
• Molecular Formular: C15H16N2O3
• Molecular Mass: 272.29914
• Monoisotopic Mass: 272.11609238
• SMILES: c12c(c3c(n(c1=O)CCC)cccc3)OC(C(=O)N2)C
• Canonical SMILES: CCCn1c(=O)c2NC(=O)C(Oc2c2c1cccc2)C
• InChI: InChI=1S/C15H16N2O3/c1-3-8-17-11-7-5-4-6-10(11)13-12(15(17)19)16-14(18)9(2)20-13/h4-7,9H,3,8H2,1-2H3,(H,16,18)
• InChIKey: DBZRADSJXUDDIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164238585
• PubChem CID: 615579

CALCULATED PROPERTIES

• Acid pKa: 11.124703
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9047529
• LogD (pH = 7.4): 0.9046813
• Log P: 0.90475386
• Molar Refractivity: 75.3147 cm^3
• Polarizability: 28.376242 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