IUPAC name
4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol
SMILES
CCN(CC)CC1=C(O)C=CC(NC2=C3C=CC(Cl)=CC3=NC=C2)=C1
Compound class
Antimalarials; Antiprotozoal Agents; Antiparasitic Products, Insecticides and Repellents; Aminoquinolines; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong);
Therapeutic area
For treatment of acute malarial attacks in non-immune subjects.
Common name
Amodiaquine
IUPAC name
4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol
SMILES
CCN(CC)CC1=C(O)C=CC(NC2=C3C=CC(Cl)=CC3=NC=C2)=C1
INCHI
InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)
FORMULA
C20H22ClN3O
Common name
Amodiaquine
IUPAC name
4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol
Molecular weight
355.861
clogP
4.120
clogS
-6.381
HBond Acceptor
3
HBond Donor
2
Total Polar Surface Area
48.39
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00068 | N-methylethanamine |
|
N(CC)C | 0.0429 |
| FDBF00070 | N-ethylethanamine |
|
N(CC)CC | 0.0240 |
| FDBF00294 | N-ethyl-N-methyl-ethanamine |
|
C(C)N(CC)C | 0.0134 |
| FDBF00415 | o-cresol |
|
c1c(c(ccc1)O)C | 0.0058 |
| FDBF01382 | 7-chloroquinolin-4-amine |
|
Clc1cc2nccc(c2cc1)N | 0.0010 |
| FDBF01396 | 4-aminophenol |
|
c1cc(ccc1O)N | 0.0007 |
| FDBF01397 | 4-amino-2-methyl-phenol |
|
c1(cc(ccc1O)N)C | 0.0003 |
| FDBF01399 | 2-(ethylaminomethyl)phenol |
|
c1(ccccc1O)CNCC | 0.0003 |
