Basic information
- Standard SMILES
COc1cccc(C(=O)Nc2c(C#N)c(NCc3ccccc3)c3cc(N4CCN(C(C)=O)CC4)ccc3[n+]2N)c1- InChIKey
YSUKRFAFFRFKJY-UHFFFAOYSA-O- Molecular formula
- C31H32N7O3+
- Average molar mass
- 550.6 g/mol
- Monoisotopic mass
- 550.25666291
Names & identifiers
- Preferred name
- N-[6-(4-acetylpiperazin-1-yl)-1-amino-4-(benzylamino)-3-cyanoquinolin-1-ium-2-yl]-3-methoxybenzamide
- IUPAC
- N-[6-(4-acetylpiperazin-1-yl)-1-amino-4-(benzylamino)-3-cyanoquinolin-1-ium-2-yl]-3-methoxybenzamide
Database identifiers
- PubChem CID
- 86644597
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 1
- Complexity
- 941
Related reactions
1 records
Compound notes
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