Basic information
- CAS
49797-49-1- Standard SMILES
NC1=CC(=O)C(=O)c2cccnc21- InChIKey
WIPMQCOMGHCENO-UHFFFAOYSA-N- Molecular formula
- C9H6N2O2
- Average molar mass
- 174.16 g/mol
- Monoisotopic mass
- 174.04292744
Names & identifiers
- Preferred name
- 8-Aminoquinoline-5,6-dione
- IUPAC
- 8-aminoquinoline-5,6-dione
Names & synonyms
8-aminoquinoline-5,6-dione49797-49-1MLS002920059NSC130785SMR0017976578-azanylquinoline-5,6-dioneSCHEMBL4590048-aminoquinoline-5,6-quinoneCHEMBL156174cid_279596BDBM91515DTXSID70299444
Show more names
NSC-130785
Database identifiers
- CAS
49797-49-1- PubChem CID
- 279596
- DTXSID
DTXSID70299444- ChEMBL
CHEMBL156174- Nikkaji
- J352.756E
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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