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 |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00025 | propan-1-amine |
|
CCCN | 0.0292 |
| FDBF00036 | pentan-1-amine |
|
CCCCCN | 0.0045 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00789 | quinoline |
|
n1c2c(ccc1)cccc2 | 0.0041 |
| FDBF02453 | quinolin-8-amine |
|
n1c2c(cccc2ccc1)N | 0.0003 |
| FDBF02454 | 6-methoxyquinolin-8-amine |
|
n1c2c(cc(cc2ccc1)OC)N | 0.0003 |
| FDBF02457 | N-isopropylquinolin-8-amine |
|
C(C)(C)Nc1c2ncccc2ccc1 | 0.0003 |
| FDBF02458 | N-isopropyl-6-methoxy-quinolin-8-amine |
|
C(C)(C)Nc1c2ncccc2cc(c1)OC | 0.0003 |
| FDBF02459 | N-[(1R)-1-methylpropyl]quinolin-8-amine |
|
CCC(C)Nc1c2ncccc2ccc1 | 0.0003 |
16 ,
2
