Responsive image

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

Responsive image

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
FDBF00066 N-methylmethanamine Responsive image N(C)C 0.0914
FDBF00208 propan-2-amine Responsive image CC(N)C 0.0210
FDBF03109 (2R)-pentan-2-amine Responsive image C(C(N)C)CC 0.0003
23 , 3