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

• ChemBase ID: 53341
• Molecular Formular: C15H12N2O3
• Molecular Mass: 268.26738
• Monoisotopic Mass: 268.08479225
• SMILES: c1c(nc2c(c1)c(=O)oc(=O)n2Cc1ccccc1)C
• Canonical SMILES: Cc1ccc2c(n1)n(Cc1ccccc1)c(=O)oc2=O
• InChI: InChI=1S/C15H12N2O3/c1-10-7-8-12-13(16-10)17(15(19)20-14(12)18)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
• InChIKey: AEDRACQGOSWAFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 686264-90-4
• MDL Number: MFCD17011912
• PubChem SID: 162058104
• PubChem CID: 49758043

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.572776
• LogD (pH = 7.4): 2.5728023
• Log P: 2.5728025
• Molar Refractivity: 72.3029 cm^3
• Polarizability: 27.534569 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%