IUPAC name
2-ethyl-3,7-dimethyl-6-[4-(trifluoromethoxy)phenoxy]-4-quinolinyl methyl carbonate
SMILES
CCc1c(C)c(c2cc(c(C)cc2n1)Oc1ccc(cc1)OC(F)(F)F)OC(=O)OC
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
flometoquin
IUPAC name
2-ethyl-3,7-dimethyl-6-[4-(trifluoromethoxy)phenoxy]-4-quinolinyl methyl carbonate
SMILES
CCc1c(C)c(c2cc(c(C)cc2n1)Oc1ccc(cc1)OC(F)(F)F)OC(=O)OC
INCHI
InChI=1S/C22H20F3NO5/c1-5-17-13(3)20(30-21(27)28-4)16-11-19(12(2)10-18(16)26-17)29-14-6-8-15(9-7-14)31-22(23,24)25/h6-11H,5H2,1-4H3
FORMULA
C22H20F3NO5
Common name
flometoquin
IUPAC name
2-ethyl-3,7-dimethyl-6-[4-(trifluoromethoxy)phenoxy]-4-quinolinyl methyl carbonate
Molecular weight
435.393
clogP
5.565
clogS
-6.950
HBond Acceptor
6
HBond Donor
0
Total Polar Surface Area
66.88
Number of Rings
3
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF01337 | benzene-1,4-diol |
|
Oc1ccc(cc1)O | 0.0100 |
| FDBF01719 | trifluoromethanol |
|
OC(F)(F)F | 0.0034 |
| FDBF04213 | trifluoromethoxybenzene |
|
c1cc(ccc1)OC(F)(F)F | 0.0024 |
| FDBF05002 | 3,7-dimethylquinolin-6-ol |
|
c1nc2c(cc1C)cc(c(c2)C)O | 0.0003 |
| FDBF05005 | 4-(trifluoromethoxy)phenol |
|
c1(ccc(cc1)OC(F)(F)F)O | 0.0003 |
| FDBF05006 | methyl hydrogen carbonate |
|
O=C(O)OC | 0.0014 |
9 ,
1
