Quinolinium, 6-amino-4-((3-amino-4-(((4-((1-ethylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-ethyl-2-methyl-, diiodide
Basic information
- CAS
53222-40-5- Standard SMILES
CC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc(C)[n+](CC)c5ccc(N)cc45)cc3N)cc2)cc1.[I-].[I-]- InChIKey
CVTBBHGQVIEULI-UHFFFAOYSA-N- Molecular formula
- C32H35I2N7O
- Average molar mass
- 787.5 g/mol
- Monoisotopic mass
- 787.09925
Names & identifiers
- Preferred name
- Quinolinium, 6-amino-4-((3-amino-4-(((4-((1-ethylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-ethyl-2-methyl-, diiodide
- IUPAC
- 2-amino-4-[(6-amino-1-ethyl-2-methylquinolin-1-ium-4-yl)amino]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide diiodide
Names & synonyms
CHEMBL3230796Quinolinium, 6-amino-4-((3-amino-4-(((4-((1-ethylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-ethyl-2-methyl-, diiodide
Database identifiers
- CAS
53222-40-5- PubChem CID
- 3040973
- DTXSID
DTXSID70967772- ChEMBL
CHEMBL3230796
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 796
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Compound notes
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