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Basic information
- Standard SMILES
Nc1c(Cl)cc2c3c(cccc13)C(=O)N(C1CN3CCC1CC3)C2=O- InChIKey
BEQOAESAWXOIEI-UHFFFAOYSA-N- Molecular formula
- C19H18ClN3O2
- Average molar mass
- 355.8 g/mol
- Monoisotopic mass
- 355.1087545
Names & identifiers
- Preferred name
- 6-Amino-2-(1-azabicyclo[2.2.2]octan-3-yl)-5-chlorobenzo[de]isoquinoline-1,3-dione
- IUPAC
- 6-amino-2-(1-azabicyclo[2.2.2]octan-3-yl)-5-chlorobenzo[de]isoquinoline-1,3-dione
Names & synonyms
SCHEMBL7269866
Database identifiers
- PubChem CID
- 196895
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 591
Related reactions
0 records
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Compound notes
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