1-(2-methoxyethyl)-7-methyl-1H,2H,4H-pyrido[2,3-d][1,3]oxazine-2,4-dione

• ChemBase ID: 53346
• Molecular Formular: C11H12N2O4
• Molecular Mass: 236.22398
• Monoisotopic Mass: 236.07970687
• SMILES: c1c(nc2c(c1)c(=O)oc(=O)n2CCOC)C
• Canonical SMILES: COCCn1c(=O)oc(=O)c2c1nc(C)cc2
• InChI: InChI=1S/C11H12N2O4/c1-7-3-4-8-9(12-7)13(5-6-16-2)11(15)17-10(8)14/h3-4H,5-6H2,1-2H3
• InChIKey: GDUDQVWTHGYSIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-7-methyl-1H,2H,4H-pyrido[2,3-d][1,3]oxazine-2,4-dione
• IUPAC Traditional name: 1-(2-methoxyethyl)-7-methylpyrido[2,3-d][1,3]oxazine-2,4-dione
• Synonyms: 1-(2-Methoxyethyl)-7-methyl-1H-pyrido-[2,3-d][1,3]oxazine-2,4-dione

Database IDs

• MDL Number: MFCD17011917
• PubChem SID: 162058109
• PubChem CID: 49758047

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.80132604
• LogD (pH = 7.4): 0.80135363
• Log P: 0.801354
• Molar Refractivity: 58.7338 cm^3
• Polarizability: 22.40857 Å^3
• Polar Surface Area: 68.73 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%