Basic information
- CAS
25943-50-4- Standard SMILES
CCCCCCCCCCCCNC1=C(Cl)C(=O)C(=O)c2cccnc21- InChIKey
ZDZLKMLYWBLEHZ-UHFFFAOYSA-N- Molecular formula
- C21H29ClN2O2
- Average molar mass
- 376.9 g/mol
- Monoisotopic mass
- 376.1917559
Names & identifiers
- Preferred name
- 7-Chloro-8-dodecylamino-5,6-quinolinedione
- IUPAC
- 7-chloro-8-(dodecylamino)quinoline-5,6-dione
Names & synonyms
25943-50-47-Chloro-8-dodecylamino-5,6-quinolinedioneDTXSID90301331RefChem:310654DTXCID40252465ZDZLKMLYWBLEHZ-UHFFFAOYSA-N7-chloro-8-(dodecylamino)quinoline-5,6-dioneNSC1424715,6-Quinolinedione,7-chloro-8-(dodecylamino)-NSC-142471DS-0088777-Chloro-8-(dodecylamino)-5,6-quinolinedione
Database identifiers
- CAS
25943-50-4- PubChem CID
- 285490
- DTXSID
DTXSID90301331
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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