Quinolinium, 1-ethyl-4-(p-((p-((1-ethylpyridinium-4-yl)amino)phenayl)carbamoyl)anilino)-, dibromide
Basic information
- CAS
68772-10-1- Standard SMILES
CC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](CC)c5ccccc45)cc3)cc2)cc1.[Br-].[Br-]- InChIKey
GEIDTQYQLJTKKG-UHFFFAOYSA-N- Molecular formula
- C31H31Br2N5O
- Average molar mass
- 649.4 g/mol
- Monoisotopic mass
- 647.08954
Names & identifiers
- Preferred name
- Quinolinium, 1-ethyl-4-(p-((p-((1-ethylpyridinium-4-yl)amino)phenayl)carbamoyl)anilino)-, dibromide
- IUPAC
- N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]-4-[(1-ethylquinolin-1-ium-4-yl)amino]benzamide dibromide
Names & synonyms
68772-10-1Quinolinium, 1-ethyl-4-(p-((p-((1-ethylpyridinium-4-yl)amino)phenayl)carbamoyl)anilino)-, dibromideRefChem:378729CHEMBL3230740
Database identifiers
- CAS
68772-10-1- PubChem CID
- 3052452
- ChEMBL
CHEMBL3230740
Properties
Computed structural properties
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 694
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Compound notes
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