Common name
7-(trifluoromethyl)quinolin-4-amine
IUPAC name
7-(trifluoromethyl)quinolin-4-amine
SMILES
n1c2c(c(cc1)N)ccc(c2)C(F)(F)F
Common name
7-(trifluoromethyl)quinolin-4-amine
IUPAC name
7-(trifluoromethyl)quinolin-4-amine
SMILES
n1c2c(c(cc1)N)ccc(c2)C(F)(F)F
INCHI
InChI=1S/C10H7F3N2/c11-10(12,13)6-1-2-7-8(14)3-4-15-9(7)5-6/h1-5H,(H2,14,15)
FORMULA
C10H7F3N2
Common name
7-(trifluoromethyl)quinolin-4-amine
IUPAC name
7-(trifluoromethyl)quinolin-4-amine
Molecular weight
212.171
clogP
2.679
clogS
-3.478
Frequency
0.0003
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
38.91
Number of Rings
2
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01194 | Antrafenine |
|
; | Antrafenine is used as an anti-inflammatory and analgesic agent for the relief of mild to moderate pain. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gg5_ligand_2_4.mol2 | 4gg5 | 0.941176 | -7.47 | Nc1c2cccnc2cc(C(F)(F)F)c1 | 15 |
| 3f66_ligand_1_1.mol2 | 3f66 | 0.781818 | -7.07 | FC(F)(F)c1cc2c(cc1)nccn2 | 14 |
| 2hvc_ligand_1_0.mol2 | 2hvc | 0.666667 | -8.01 | FC(F)(F)c1cc(=O)[nH]c2c1cccc2 | 15 |
| 3e8r_ligand_1_6.mol2 | 3e8r | 0.666667 | -7.03 | c1cc2c(ccnc2cc1)C | 11 |
| 4dvi_ligand_frag_1.mol2 | 4dvi | 0.666667 | -6.85 | n1c2ccccc2c(cc1)C | 11 |
| 3gwt_ligand_1_4.mol2 | 3gwt | 0.653846 | -7.27 | Nc1ccnc2c1cccc2C | 12 |
| 2hvc_ligand_2_0.mol2 | 2hvc | 0.651515 | -7.97 | Nc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1 | 16 |
100 ,
11
