IUPAC name
2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl 2-{[7-(trifluoromethyl)quinolin-4-yl]amino}benzoate
SMILES
FC(F)(F)C1=CC(=CC=C1)N1CCN(CCOC(=O)C2=CC=CC=C2NC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)CC1
Compound class
;
Therapeutic area
Antrafenine is used as an anti-inflammatory and analgesic agent for the relief of mild to moderate pain.
Common name
Antrafenine
IUPAC name
2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl 2-{[7-(trifluoromethyl)quinolin-4-yl]amino}benzoate
SMILES
FC(F)(F)C1=CC(=CC=C1)N1CCN(CCOC(=O)C2=CC=CC=C2NC2=C3C=CC(=CC3=NC=C2)C(F)(F)F)CC1
INCHI
InChI=1S/C30H26F6N4O2/c31-29(32,33)20-4-3-5-22(18-20)40-14-12-39(13-15-40)16-17-42-28(41)24-6-1-2-7-25(24)38-26-10-11-37-27-19-21(30(34,35)36)8-9-23(26)27/h1-11,18-19H,12-17H2,(H,37,38)
FORMULA
C30H26F6N4O2
Common name
Antrafenine
IUPAC name
2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl 2-{[7-(trifluoromethyl)quinolin-4-yl]amino}benzoate
Molecular weight
588.543
clogP
6.138
clogS
-8.585
HBond Acceptor
5
HBond Donor
1
Total Polar Surface Area
57.7
Number of Rings
5
Rotatable Bond
10
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00046 | aniline |
|
Nc1ccccc1 | 0.0247 |
| FDBF00100 | ethyl formate |
|
O(C=O)CC | 0.0244 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00789 | quinoline |
|
n1c2c(ccc1)cccc2 | 0.0041 |
| FDBF03013 | quinolin-4-amine |
|
n1c2c(c(cc1)N)cccc2 | 0.0007 |
| FDBF03014 | 1-methyl-4-phenyl-piperazine |
|
c1(ccccc1)N2CCN(CC2)C | 0.0014 |
| FDBF03017 | 7-(trifluoromethyl)quinolin-4-amine |
|
n1c2c(c(cc1)N)ccc(c2)C(F)(F)F | 0.0003 |
| FDBF03018 | 1-methyl-4-[3-(trifluoromethyl)phenyl]piperazine |
|
c1(cc(ccc1)C(F)(F)F)N2CCN(CC2)C | 0.0010 |
| FDBF03019 | ethyl 2-aminobenzoate |
|
Nc1c(cccc1)C(=O)OCC | 0.0007 |
