2-Amino-4-((6-amino-1-propylquinolin-4(1H)-ylidene)amino)-N-(4-((1-propylpyridin-1-ium-4-yl)amino)phenyl)benzene-1-carboximidate--hydrogen iodide (1/2)
Basic information
- CAS
53222-27-8- Standard SMILES
CCC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](CCC)c5ccc(N)cc45)cc3N)cc2)cc1.[I-].[I-]- InChIKey
XKUHEZISADENNZ-UHFFFAOYSA-N- Molecular formula
- C33H37I2N7O
- Average molar mass
- 801.5 g/mol
- Monoisotopic mass
- 801.1149
Names & identifiers
- Preferred name
- 2-Amino-4-((6-amino-1-propylquinolin-4(1H)-ylidene)amino)-N-(4-((1-propylpyridin-1-ium-4-yl)amino)phenyl)benzene-1-carboximidate--hydrogen iodide (1/2)
- IUPAC
- 2-amino-4-[(6-amino-1-propylquinolin-1-ium-4-yl)amino]-N-[4-[(1-propylpyridin-1-ium-4-yl)amino]phenyl]benzamide diiodide
Names & synonyms
RefChem:1062176DTXCID6013953632-Amino-4-((6-amino-1-propylquinolin-4(1H)-ylidene)amino)-N-(4-((1-propylpyridin-1-ium-4-yl)amino)phenyl)benzene-1-carboximidate--hydrogen iodide (1/2)53222-27-8DTXSID80967768CHEMBL3230789Quinolinium, 6-amino-4-((3-amino-4-(((4-((1-propylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-propyl-, diiodide
Database identifiers
- CAS
53222-27-8- PubChem CID
- 3040965
- DTXSID
DTXSID80967768- ChEMBL
CHEMBL3230789
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 796
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Compound notes
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