IUPAC name
2,3-dihydroxypropyl 2-{[8-(trifluoromethyl)quinolin-4-yl]amino}benzoate
SMILES
OCC(O)COC(=O)C1=CC=CC=C1NC1=C2C=CC=C(C2=NC=C1)C(F)(F)F
Compound class
Analgesics; Nervous System;
Therapeutic area
Common name
Floctafenine
IUPAC name
2,3-dihydroxypropyl 2-{[8-(trifluoromethyl)quinolin-4-yl]amino}benzoate
SMILES
OCC(O)COC(=O)C1=CC=CC=C1NC1=C2C=CC=C(C2=NC=C1)C(F)(F)F
INCHI
InChI=1S/C20H17F3N2O4/c21-20(22,23)15-6-3-5-13-17(8-9-24-18(13)15)25-16-7-2-1-4-14(16)19(28)29-11-12(27)10-26/h1-9,12,26-27H,10-11H2,(H,24,25)
FORMULA
C20H17F3N2O4
Common name
Floctafenine
IUPAC name
2,3-dihydroxypropyl 2-{[8-(trifluoromethyl)quinolin-4-yl]amino}benzoate
Molecular weight
406.355
clogP
3.581
clogS
-5.107
HBond Acceptor
5
HBond Donor
3
Total Polar Surface Area
91.68
Number of Rings
3
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF03893 | 8-(trifluoromethyl)quinolin-4-amine |
|
FC(F)(F)c1c2nccc(c2ccc1)N | 0.0003 |
11 ,
2
