Basic information
- Standard SMILES
O=C(/C=C/C(F)(F)Cl)N1CCN(c2ccnc3ccccc23)CC1- InChIKey
YFXPHAFXVBMAOM-FNORWQNLSA-N- Molecular formula
- C17H16ClF2N3O
- Average molar mass
- 351.8 g/mol
- Monoisotopic mass
- 351.0949962
Names & identifiers
- Preferred name
- (E)-4-chloro-4,4-difluoro-1-[4-(4-quinolyl)piperazin-1-yl]but-2-en-1-one
- IUPAC
- (E)-4-chloro-4,4-difluoro-1-(4-quinolin-4-ylpiperazin-1-yl)but-2-en-1-one
Names & synonyms
(E)-4-chloro-4,4-difluoro-1-[4-(4-quinolyl)piperazin-1-yl]but-2-en-1-oneSCHEMBL900237
Database identifiers
- PubChem CID
- 66835852
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 480
Related reactions
1 records
Compound notes
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