Basic information
- Standard SMILES
COc1cccc(C(=O)Nc2nc3ccc(N4CCN(C(C)=O)CC4)cc3c(NCc3ccccc3)c2C#N)c1- InChIKey
JRLVCFLOPRHAGY-UHFFFAOYSA-N- Molecular formula
- C31H30N6O3
- Average molar mass
- 534.6 g/mol
- Monoisotopic mass
- 534.23793884
Names & identifiers
- Preferred name
- 3-Methoxy-N-[6-(4-acetylpiperazin-1-yl)-4-benzylamino-3-cyanoquinolin-2-yl]benzamide
- IUPAC
- N-[6-(4-acetylpiperazin-1-yl)-4-(benzylamino)-3-cyanoquinolin-2-yl]-3-methoxybenzamide
Names & synonyms
SCHEMBL1414488JRLVCFLOPRHAGY-UHFFFAOYSA-N3-Methoxy-N-[6-(4-acetylpiperazin-1-yl)-4-benzylamino-3-cyanoquinolin-2-yl]benzamide
Database identifiers
- PubChem CID
- 67023658
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 908
Related reactions
4 records
Compound notes
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