Basic information
- Standard SMILES
O=C1CCc2cc(OCCNc3nnc(-c4ccc(C(F)(F)F)cc4)o3)ccc2N1- InChIKey
VHJREZDAWPFXTP-UHFFFAOYSA-N- Molecular formula
- C20H17F3N4O3
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.1252749
Names & identifiers
- Preferred name
- 6-(2-(5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-ylamino)ethoxy)-3,4-dihydroquinolin-2(1H)-one
- IUPAC
- 6-[2-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]ethoxy]-3,4-dihydro-1H-quinolin-2-one
Names & synonyms
6-(2-(5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-ylamino)ethoxy)-3,4-dihydroquinolin-2(1H)-oneSCHEMBL14815711
Database identifiers
- PubChem CID
- 71541940
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 586
Related reactions
1 records
Compound notes
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