IUPAC name
N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
SMILES
COC1=CC(NC(C)CCCN)=C2N=CC=CC2=C1
Compound class
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;
Therapeutic area
For the treatment of malaria.
Common name
Primaquine
IUPAC name
N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
SMILES
COC1=CC(NC(C)CCCN)=C2N=CC=CC2=C1
INCHI
InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3
FORMULA
C15H21N3O
Common name
Primaquine
IUPAC name
N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
Molecular weight
259.347
clogP
2.548
clogS
-4.418
HBond Acceptor
2
HBond Donor
3
Total Polar Surface Area
60.17
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00208 | propan-2-amine |
|
CC(N)C | 0.0210 |
| FDBF01009 | 6-methoxyquinoline |
|
O(C)c1cc2c(nccc2)cc1 | 0.0014 |
| FDBF01891 | (2R)-butan-2-amine |
|
C(C)(N)CC | 0.0021 |
| FDBF02455 | N-ethylquinolin-8-amine |
|
C(C)Nc1c2ncccc2ccc1 | 0.0003 |
| FDBF02456 | N-ethyl-6-methoxy-quinolin-8-amine |
|
C(C)Nc1c2ncccc2cc(c1)OC | 0.0003 |
16 ,
2
