IUPAC name
2-({4-[(7-chloroquinolin-4-yl)amino]pentyl}(ethyl)amino)ethan-1-ol
SMILES
CCN(CCO)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC=C1
Compound class
Antirheumatic Agents; Enzyme Inhibitors; Antimalarials; Antiprotozoal Agents; Antiparasitic Products, Insecticides and Repellents; Aminoquinolines; CYP2D6 Inducers; CYP2D6 Inducers (strong);
Therapeutic area
For the suppressive treatment and treatment of acute attacks of malaria due to .
Common name
Hydroxychloroquine
IUPAC name
2-({4-[(7-chloroquinolin-4-yl)amino]pentyl}(ethyl)amino)ethan-1-ol
SMILES
CCN(CCO)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC=C1
INCHI
InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)
FORMULA
C18H26ClN3O
Common name
Hydroxychloroquine
IUPAC name
2-({4-[(7-chloroquinolin-4-yl)amino]pentyl}(ethyl)amino)ethan-1-ol
Molecular weight
335.872
clogP
3.727
clogS
-5.594
HBond Acceptor
3
HBond Donor
2
Total Polar Surface Area
48.39
Number of Rings
2
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00025 | propan-1-amine |
|
CCCN | 0.0292 |
| FDBF00036 | pentan-1-amine |
|
CCCCCN | 0.0045 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00073 | N-ethylpropan-1-amine |
|
N(CCC)CC | 0.0086 |
| FDBF00289 | N,N-dimethylethanamine |
|
C(C)N(C)C | 0.0299 |
| FDBF00295 | 2-[ethyl(methyl)amino]ethanol |
|
C(C)N(CCO)C | 0.0010 |
| FDBF00729 | 2-(ethylamino)ethanol |
|
N(CCO)CC | 0.0065 |
| FDBF01382 | 7-chloroquinolin-4-amine |
|
Clc1cc2nccc(c2cc1)N | 0.0010 |
