Quinolinium, 7-amino-4-((3-amino-4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, dibromide
Basic information
- CAS
53222-43-8- Standard SMILES
C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5cc(N)ccc45)cc3N)cc2)cc1.[Br-].[Br-]- InChIKey
HYDOYMXGKKIFJX-UHFFFAOYSA-N- Molecular formula
- C29H29Br2N7O
- Average molar mass
- 651.4 g/mol
- Monoisotopic mass
- 649.08003
Names & identifiers
- Preferred name
- Quinolinium, 7-amino-4-((3-amino-4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, dibromide
- IUPAC
- 2-amino-4-[(7-amino-1-methylquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide dibromide
Names & synonyms
53222-43-8Quinolinium, 7-amino-4-((3-amino-4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, dibromideRefChem:378826CHEMBL3230793
Database identifiers
- CAS
53222-43-8- PubChem CID
- 3040975
- DTXSID
DTXSID30967773- ChEMBL
CHEMBL3230793
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 736
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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