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 |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00068 | N-methylethanamine |
|
N(CC)C | 0.0429 |
| FDBF00069 | N-methylpropan-1-amine |
|
N(CCC)C | 0.0148 |
| FDBF00070 | N-ethylethanamine |
|
N(CC)CC | 0.0240 |
| FDBF00081 | pentane |
|
CCCCC | 0.0316 |
| FDBF00287 | 2-(methylamino)ethanol |
|
C(CO)NC | 0.0089 |
| FDBF00294 | N-ethyl-N-methyl-ethanamine |
|
C(C)N(CC)C | 0.0134 |
| FDBF00563 | N-ethyl-N-methyl-propan-1-amine |
|
C(C)CN(C)CC | 0.0031 |
| FDBF01891 | (2R)-butan-2-amine |
|
C(C)(N)CC | 0.0021 |
