2-(5-Chloro-2-thienyl)-4-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)quinoline
Basic information
- CAS
444930-87-4- Standard SMILES
O=C(c1cc(-c2ccc(Cl)s2)nc2ccccc12)N1CCN(c2cccc(C(F)(F)F)c2)CC1- InChIKey
PREIPTBERXCFOQ-UHFFFAOYSA-N- Molecular formula
- C25H19ClF3N3OS
- Average molar mass
- 502 g/mol
Names & identifiers
- Preferred name
- 2-(5-Chloro-2-thienyl)-4-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)quinoline
- IUPAC
- [2-(5-chlorothiophen-2-yl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
- English name
- 2-(5-chloro-2-thienyl)-4-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)quinoline
- Molecular formula
- C25H19ClF3N3OS
- Molecular weight
- 501.9510696
Names & synonyms
2-(5-chloro-2-thienyl)-4-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)quinolineAK-968/15604933STL175712AKOS003802334[2-(5-chlorothiophen-2-yl)quinolin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone[2-(5-CHLORO-2-THIENYL)-4-QUINOLYL]{4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZINO}METHANONE[2-(5-chlorothiophen-2-yl)quinolin-4-yl]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Database identifiers
- CAS
444930-87-4
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 720
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Compound notes
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