Quinolinium, 4-((3-amino-4-((4-((1-methylpyridinium-4-yl)amino)benzoyl)amino)phenyl)amino)-1-methyl-, dibromide
Basic information
- CAS
53222-52-9- Standard SMILES
C[n+]1ccc(Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](C)c5ccccc45)cc3N)cc2)cc1.[Br-].[Br-]- InChIKey
GMLSVLWOTMTUDT-UHFFFAOYSA-N- Molecular formula
- C29H28Br2N6O
- Average molar mass
- 636.4 g/mol
- Monoisotopic mass
- 634.06913
Names & identifiers
- Preferred name
- Quinolinium, 4-((3-amino-4-((4-((1-methylpyridinium-4-yl)amino)benzoyl)amino)phenyl)amino)-1-methyl-, dibromide
- IUPAC
- N-[2-amino-4-[(1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide dibromide
Names & synonyms
Quinolinium, 4-((3-amino-4-((4-((1-methylpyridinium-4-yl)amino)benzoyl)amino)phenyl)amino)-1-methyl-, dibromideRefChem:37877453222-52-9CHEMBL3230797
Database identifiers
- CAS
53222-52-9- PubChem CID
- 3040979
- ChEMBL
CHEMBL3230797
Properties
Computed structural properties
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 704
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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