Basic information
- CAS
144511-04-6- Standard SMILES
NCCCCNc1ccc(NCCCCN)c2c1C(=O)c1ccncc1C2=O- InChIKey
HCHOKVZZDXHUFP-UHFFFAOYSA-N- Molecular formula
- C21H27N5O2
- Average molar mass
- 381.5 g/mol
- Monoisotopic mass
- 381.21647512
Names & identifiers
- Preferred name
- 6,9-Bis((4-aminobutyl)amino)benzo[g]isoquinoline-5,10-dione
- IUPAC
- 6,9-bis(4-aminobutylamino)benzo[g]isoquinoline-5,10-dione
Names & synonyms
144511-04-6BBR 28126,9-Bis((4-aminobutyl)amino)benzo[g]isoquinoline-5,10-dione6,9-bis[(4-aminobutyl)amino]benzo[g]isoquinoline-5,10-dioneCHEMBL165703SCHEMBL8788920DTXSID70162745Benz(g)isoquinoline-5,10-dione, 6,9-bis((4-aminobutyl)amino)-
Database identifiers
- CAS
144511-04-6- PubChem CID
- 219062
- DTXSID
DTXSID70162745- ChEMBL
CHEMBL165703- Nikkaji
- J580.528G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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