Basic information
- Standard SMILES
N#Cc1ccc(CCC(=O)N2CCCc3cc(NC(=O)C(F)(F)F)ccc32)cc1- InChIKey
KHXKTZMPTRIUJP-UHFFFAOYSA-N- Molecular formula
- C21H18F3N3O2
- Average molar mass
- 401.4 g/mol
Names & identifiers
- Preferred name
- 1-[3-(4-Cyano-phenyl)propionyl]-6-trifluoroacetylamino-1,2,3,4-tetrahydro-quinoline
- IUPAC
- N-[1-[3-(4-cyanophenyl)propanoyl]-3,4-dihydro-2H-quinolin-6-yl]-2,2,2-trifluoroacetamide
Names & synonyms
1-[3-(4-cyano-phenyl)propionyl]-6-trifluoroacetylamino-1,2,3,4-tetrahydro-quinolineSCHEMBL69844591-[3-(4cyano-phenyl)propionyl]-6-trifluoracetylamino-1,2,3,4-tetrahydro-quinoline
Database identifiers
- PubChem CID
- 15410771
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 649
Related reactions
3 records
Compound notes
Loading…