Common name
6-methoxyquinolin-8-amine
IUPAC name
6-methoxyquinolin-8-amine
SMILES
n1c2c(cc(cc2ccc1)OC)N
Common name
6-methoxyquinolin-8-amine
IUPAC name
6-methoxyquinolin-8-amine
SMILES
n1c2c(cc(cc2ccc1)OC)N
INCHI
InChI=1S/C10H10N2O/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8/h2-6H,11H2,1H3
FORMULA
C10H10N2O
Common name
6-methoxyquinolin-8-amine
IUPAC name
6-methoxyquinolin-8-amine
Molecular weight
174.199
clogP
1.704
clogS
-2.709
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
48.14
Number of Rings
2
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00937 | Primaquine |
|
Antimalarials; Antiprotozoal Agents; Antiparasitic Products, Insecticides and Repellents; Aminoquinolines; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of malaria. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3efj_ligand_1_4.mol2 | 3efj | 0.840909 | -7.22 | O(C)c1cc2c(nccc2)cc1 | 12 |
| 3efk_ligand_1_1.mol2 | 3efk | 0.840909 | -7.19 | O(C)c1ccc2ncccc2c1 | 12 |
| 4fny_ligand_1_1.mol2 | 4fny | 0.840909 | -7.19 | c1cc2c(cc1OC)cccn2 | 12 |
| 3b8q_ligand_1_3.mol2 | 3b8q | 0.840909 | -7.18 | c1c2c(ncc1)ccc(c2)OC | 12 |
| 2rfn_ligand_1_8.mol2 | 2rfn | 0.840909 | -7.17 | O(C)c1cc2c(cc1)nccc2 | 12 |
| 4x7h_ligand_1_4.mol2 | 4x7h | 0.840909 | -7.16 | n1c2c(cc(cc2)OC)ccc1 | 12 |
| 2rl5_ligand_1_1.mol2 | 2rl5 | 0.840909 | -7.15 | c1cc2c(cc1OC)cccn2 | 12 |
100 ,
11
