7-methyl-1-propyl-1H,2H,4H-pyrido[2,3-d][1,3]oxazine-2,4-dione

• ChemBase ID: 53342
• Molecular Formular: C11H12N2O3
• Molecular Mass: 220.22458
• Monoisotopic Mass: 220.08479225
• SMILES: c1c(nc2c(c1)c(=O)oc(=O)n2CCC)C
• Canonical SMILES: CCCn1c(=O)oc(=O)c2c1nc(C)cc2
• InChI: InChI=1S/C11H12N2O3/c1-3-6-13-9-8(5-4-7(2)12-9)10(14)16-11(13)15/h4-5H,3,6H2,1-2H3
• InChIKey: CPDARBAVHVULKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-1-propyl-1H,2H,4H-pyrido[2,3-d][1,3]oxazine-2,4-dione
• IUPAC Traditional name: 7-methyl-1-propyl-2H,4H-pyrido[2,3-d][1,3]oxazine-2,4-dione
• Synonyms: 7-Methyl-1-propyl-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione

Database IDs

• MDL Number: MFCD17011913
• PubChem SID: 162058105
• PubChem CID: 49758044

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7276305
• LogD (pH = 7.4): 1.7276595
• Log P: 1.7276598
• Molar Refractivity: 56.9629 cm^3
• Polarizability: 21.666616 Å^3
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%