IUPAC name
6-chloro-N-[5-(diethylamino)pentan-2-yl]-2-methoxyacridin-9-amine
SMILES
CCN(CC)CCCC(C)NC1=C2C=C(OC)C=CC2=NC2=C1C=CC(Cl)=C2
Compound class
Antineoplastic Agents; Enzyme Inhibitors; Antimalarials; Antiprotozoal Agents; Antinematodal Agents; Anthelmintics; Anticestodal Agents; Antiparasitic Products, Insecticides and Repellents; Agents Against Protozoal Diseases; CYP3A4 Inhibitors;
Therapeutic area
For the treatment of giardiasis and cutaneous leishmaniasis and the management of malignant effusions.
Common name
Quinacrine
IUPAC name
6-chloro-N-[5-(diethylamino)pentan-2-yl]-2-methoxyacridin-9-amine
SMILES
CCN(CC)CCCC(C)NC1=C2C=C(OC)C=CC2=NC2=C1C=CC(Cl)=C2
INCHI
InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
FORMULA
C23H30ClN3O
Common name
Quinacrine
IUPAC name
6-chloro-N-[5-(diethylamino)pentan-2-yl]-2-methoxyacridin-9-amine
Molecular weight
399.957
clogP
5.523
clogS
-7.756
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
37.39
Number of Rings
3
Rotatable Bond
9
| 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 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00068 | N-methylethanamine |
|
N(CC)C | 0.0429 |
| FDBF00073 | N-ethylpropan-1-amine |
|
N(CCC)CC | 0.0086 |
| FDBF00294 | N-ethyl-N-methyl-ethanamine |
|
C(C)N(CC)C | 0.0134 |
| FDBF00696 | N,N-diethylethanamine |
|
C(C)N(CC)CC | 0.0079 |
| FDBF01383 | (2S)-pentan-2-amine |
|
C(C)CC(C)N | 0.0007 |
