Amodiaquine dihydrochloride
PubChem CID: 16051921
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| Compound Synonyms | Amodiaquine hydrochloride, TCMDC-123932, Amodiaquin (dihydrochloride), AMODIAQUINE DIHYDROCHLORIDE, Amodiaquine HCl, Acrichin dihydrochloride, 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol, hydrochloride, 4-((7-CHloroquinolin-4-yl)amino)-2-((diethylamino)methyl)phenol xhydrochloride, [5-[(7-chloroquinolin-1-ium-4-yl)amino]-2-hydroxyphenyl]methyl-diethylazanium, dichloride, dihydrate, 118490-14-5, CHEMBL1630, SCHEMBL12094969, AKOS016339644, 4-((7-CHloroquinolin-4-yl)amino)-2-((diethylamino)methyl)phenol hydrochloride, 1702335-79-2 |
|---|---|
| Topological Polar Surface Area | 48.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 406.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol, hydrochloride |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Target Id | NPT109, NPT208, NPT110, NPT628, NPT212, NPT213, NPT98, NPT5968 |
| Is Pains | True |
| Molecular Formula | C20H23Cl2N3O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KBTNVJNLEFHBSO-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 6.0 |
| Compound Name | Amodiaquine dihydrochloride |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 391.122 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 391.122 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 392.3 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.0992306153846165 |
| Inchi | InChI=1S/C20H22ClN3O.ClH/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), 1H |
| Smiles | CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.Cl |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schizanthus Tricolor (Plant) Rel Props:Source_db:cmaup_ingredients