Basic information
- Standard SMILES
O=C(/C=C\CCl)N1CCN(c2ccnc3ccccc23)CC1- InChIKey
MXVBEMRBAWKNMO-UTCJRWHESA-N- Molecular formula
- C17H18ClN3O
- Average molar mass
- 315.8 g/mol
Names & identifiers
- Preferred name
- (Z)-4-chloro-1-[4-(4-quinolyl)piperazin-1-yl]but-2-en-1-one
- IUPAC
- (Z)-4-chloro-1-(4-quinolin-4-ylpiperazin-1-yl)but-2-en-1-one
Names & synonyms
SCHEMBL900431MXVBEMRBAWKNMO-UTCJRWHESA-N(Z)-4-chloro-1-[4-(4-quinolyl)piperazin-1-yl]but-2-en-1-one
Database identifiers
- PubChem CID
- 66835944
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 407
Related reactions
1 records
Compound notes
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