Basic information
- Standard SMILES
CCOC(=O)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cn3)ccc2c1- InChIKey
UUORMZVEZDIUOJ-UHFFFAOYSA-N- Molecular formula
- C25H18F3N3O3
- Average molar mass
- 465.4 g/mol
Names & identifiers
- Preferred name
- 7-[2-(5-Trifluoromethyl-pyridin-2-yl)-benzoylamino]-quinoline-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 7-[[2-[5-(trifluoromethyl)-2-pyridinyl]benzoyl]amino]quinoline-3-carboxylate
Names & synonyms
7-[2-(5-Trifluoromethyl-pyridin-2-yl)-benzoylamino]-quinoline-3-carboxylic acid ethyl esterSCHEMBL6769912
Database identifiers
- PubChem CID
- 69891345
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 719
Related reactions
6 records
Compound notes
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