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

• ChemBase ID: 53340
• Molecular Formular: C14H10N2O3
• Molecular Mass: 254.2408
• Monoisotopic Mass: 254.06914219
• SMILES: c1c(nc2c(c1)c(=O)oc(=O)n2c1ccccc1)C
• Canonical SMILES: Cc1ccc2c(n1)n(c1ccccc1)c(=O)oc2=O
• InChI: InChI=1S/C14H10N2O3/c1-9-7-8-11-12(15-9)16(14(18)19-13(11)17)10-5-3-2-4-6-10/h2-8H,1H3
• InChIKey: HQKPORSNCLNKLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD17011911
• PubChem SID: 162058103
• PubChem CID: 49758042

CALCULATED PROPERTIES

• Log P: 2.506288
• Molar Refractivity: 67.4679 cm^3
• Polarizability: 25.682852 Å^3
• Polar Surface Area: 59.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5062802
• LogD (pH = 7.4): 2.5062878

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%