Common name
quinolin-4-amine
IUPAC name
quinolin-4-amine
SMILES
n1c2c(c(cc1)N)cccc2
Common name
quinolin-4-amine
IUPAC name
quinolin-4-amine
SMILES
n1c2c(c(cc1)N)cccc2
INCHI
InChI=1S/C9H8N2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H2,10,11)
FORMULA
C9H8N2
Common name
quinolin-4-amine
IUPAC name
quinolin-4-amine
Molecular weight
144.173
clogP
1.774
clogS
-2.409
Frequency
0.0007
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
38.91
Number of Rings
2
Rotatable Bond
0
| 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. |
| FDBD01603 | Floctafenine |
|
Analgesics; Nervous System; |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xui_ligand_1_11.mol2 | 2xui | 1 | -8.04 | c1(c2ccccc2nc2ccccc12)N | 15 |
| 2xup_ligand_1_11.mol2 | 2xup | 1 | -8.03 | Nc1c2ccccc2nc2ccccc12 | 15 |
| 4bds_ligand.mol2 | 4bds | 1 | -7.91 | c1cccc2nc3ccccc3c(c12)N | 16 |
| 2xuf_ligand_1_11.mol2 | 2xuf | 1 | -7.81 | c1(c2ccccc2nc2ccccc12)N | 15 |
| 3frg_ligand_1_2.mol2 | 3frg | 1 | -6.99 | Nc1ccnc2ccccc12 | 11 |
| 2zaz_ligand_1_1.mol2 | 2zaz | 1 | -6.67 | c1cc2c(cc1)c(ccn2)N | 11 |
| 4qt0_ligand_1_1.mol2 | 4qt0 | 1 | -6.57 | Nc1ccnc2c1cccc2 | 11 |
| 4qsm_ligand_1_1.mol2 | 4qsm | 1 | -6.51 | c1c(c2c(nc1)cccc2)N | 11 |
| 1qvt_ligand.mol2 | 1qvt | 0.964286 | -7.97 | c1cc(cc2nc3cc(ccc3cc12)N)N | 17 |
| 1qvu_ligand.mol2 | 1qvu | 0.964286 | -7.89 | c1cc(cc2nc3cc(ccc3cc12)N)N | 17 |
171 ,
18
