3-(cinnolin-4-ylethynyl)-N-[4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(trifluoromethyl)phenyl]-4-methylbenzamide
Basic information
- Standard SMILES
Cc1ccc(C(=O)Nc2ccc(CN3CCN(CCO)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnnc2ccccc12- InChIKey
RLIPYIMTRSMSIX-UHFFFAOYSA-N- Molecular formula
- C32H30F3N5O2
- Average molar mass
- 573.6 g/mol
Names & identifiers
- Preferred name
- 3-(cinnolin-4-ylethynyl)-N-[4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(trifluoromethyl)phenyl]-4-methylbenzamide
- IUPAC
- 3-(2-cinnolin-4-ylethynyl)-N-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide
Names & synonyms
3-(cinnolin-4-ylethynyl)-N-[4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-3-(trifluoromethyl)phenyl]-4-methylbenzamideSCHEMBL4104396
Database identifiers
- PubChem CID
- 57775186
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 959
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Related reactions
1 records
Compound notes
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