Basic information
- Standard SMILES
CCN1CCCC(NC(=O)Cc2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)C1.O- InChIKey
MNIWZZKECQLYNJ-UHFFFAOYSA-N- Molecular formula
- C24H29ClN4O2
- Average molar mass
- 441 g/mol
Names & identifiers
- Preferred name
- 2-[4-(7-chloro-4-quinolylamino)phenyl]-N-(1-ethyl-3-piperidyl)acetamide monohydrate
- IUPAC
- 2-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-N-(1-ethylpiperidin-3-yl)acetamide;hydrate
Names & synonyms
SCHEMBL11487787MNIWZZKECQLYNJ-UHFFFAOYSA-N2-[4-(7-chloro-4-quinolylamino)phenyl]-N-(1-ethyl-3-piperidyl)acetamide monohydrate
Database identifiers
- PubChem CID
- 23329004
Properties
Computed structural properties
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 553
Related reactions
1 records
Compound notes
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