Basic information
- Standard SMILES
Cc1onc(-c2ccccc2)c1C(=O)Nc1ccnc2cc(C(F)(F)F)ccc12- InChIKey
DPNLQDRKZSRZJT-UHFFFAOYSA-N- Molecular formula
- C21H14F3N3O2
- Average molar mass
- 397.3 g/mol
- Monoisotopic mass
- 397.10381118
Names & identifiers
- Preferred name
- 5-methyl-3-phenyl-N-(7-trifluoromethyl-4-quinolinyl)-4-isoxazolecarboxamide
- IUPAC
- 5-methyl-3-phenyl-N-[7-(trifluoromethyl)quinolin-4-yl]-1,2-oxazole-4-carboxamide
Names & synonyms
5-methyl-3-phenyl-N-(7-trifluoromethyl-4-quinolinyl)-4-isoxazolecarboxamideSCHEMBL2343420
Database identifiers
- PubChem CID
- 60007920
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 582
Related reactions
2 records
Compound notes
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