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Common name


flometoquin

Formula


C22H20F3NO5

CAS


875775-74-9

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

Physicochemical Properties

Molecular weight:

435.393

Molar refractivity:

112.237

Num. bonds:

33

Num. double bonds:

9

Num. triple bonds:

0

Num. heavy atoms:

31

Num. nitrogen atom:

1

Num. oxygen atoms:

5

Num. sulphur atoms :

0

Num. P atoms:

0

Num. halogen atoms:

3

Num. H-bond acc:

4

Num. H-bond donors:

1

Complexity of system:

159.09

Lipophilicity

ALogP:

3.646

MLogP:

2.89

XLogP:

4.598

Water Solubility

CLogS:

-6.95

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

8

Frac. of Rot. bonds:

0.242

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

3

Num. rings:

3

Topological

topoRadius:

8

topoDiameter:

15

TopoPSA:

53.99
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

0.7

QEI:

0.436

Gau:

4.51