Amodiaquine-d10 is an antimalarial.
| Canonical Smiles | CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O |
|---|---|
| IUPAC Name | 2-[[bis(1,1,2,2,2-pentadeuterioethyl)amino]methyl]-4-[(7-chloroquinolin-4-yl)amino]phenol |
| InChIKey | OVCDSSHSILBFBN-MWUKXHIBSA-N |
| 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)/i1D3,2D3,3D2,4D2 |
| Isomeric SMILES | [2H]C([2H])([2H])C([2H])([2H])N(CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O)C([2H])([2H])C([2H])([2H])[2H] |
| Molecular Weight | 365.92 |
| Reaxy-Rn | 300962 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=300962&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Aminoquinolines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 4-aminoquinolines |
| Alternative Parents | Chloroquinolines p-Aminophenols Aniline and substituted anilines Phenylmethylamines Benzylamines 1-hydroxy-2-unsubstituted benzenoids Aminopyridines and derivatives Aralkylamines Primary aromatic amines Aryl chlorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Secondary amines Organochlorides Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chloroquinoline - Haloquinoline - 4-aminoquinoline - Benzylamine - Phenylmethylamine - Aniline or substituted anilines - Aminophenol - P-aminophenol - Phenol - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Aminopyridine - Aryl halide - Primary aromatic amine - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Pyridine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system. |
| External Descriptors | Not available |
| Solubility | Soluble in Chloroform and Methanol |
|---|---|
| Molecular Weight | 365.900 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 365.208 Da |
| Monoisotopic Mass | 365.208 Da |
| Topological Polar Surface Area | 48.400 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 406.000 |
| Isotope Atom Count | 10 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
