2-Acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
Basic information
- CAS
63500-06-1- Standard SMILES
CC(=O)NN1C(=O)Cc2ccccc2C1C(N)=O- InChIKey
BIJIMEZURIPFLZ-UHFFFAOYSA-N- Molecular formula
- C12H13N3O3
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.09569129
Names & identifiers
- Preferred name
- 2-Acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
- IUPAC
- 2-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
Names & synonyms
NSC30890163500-06-12-acetamido-3-oxo-1,4-dihydroisoquinoline-1-carboxamideDTXSID203169182-Acetamido-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamideNSC-308901DS-0038892-(Acetylamino)-3-oxo-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Database identifiers
- CAS
63500-06-1- PubChem CID
- 328784
- DTXSID
DTXSID20316918
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 383
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Compound notes
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