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686264-90-4 molecular structure
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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 and InChIs

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

Cite this record

CBID:53341 http://www.chembase.cn/molecule-53341.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
686264-90-4
MDL Number
MFCD17011912
PubChem SID
162058104
PubChem CID
49758043

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 49758043 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.572776  LogD (pH = 7.4) 2.5728023 
Log P 2.5728025  Molar Refractivity 72.3029 cm3
Polarizability 27.534569 Å3 Polar Surface Area 59.5 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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