| Canonical Smiles | COC1=C2C(=C(C=C1)Cl)CCCN2.Cl |
|---|---|
| IUPAC Name | 5-chloro-8-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride |
| InChIKey | JUSXLWXQGMKGCO-UHFFFAOYSA-N |
| INCHI | 1S/C10H12ClNO.ClH/c1-13-9-5-4-8(11)7-3-2-6-12-10(7)9;/h4-5,12H,2-3,6H2,1H3;1H |
| Molecular Weight | 234.12 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Hydroquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroquinolines |
| Alternative Parents | Anisoles Secondary alkylarylamines Aralkylamines Alkyl aryl ethers Aryl chlorides Azacyclic compounds Organochlorides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Tetrahydroquinoline - Anisole - Phenol ether - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Azacycle - Ether - Secondary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Hydrochloride - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroquinolines. These are derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms. |
| External Descriptors | Not available |
| Molecular Weight | 234.120 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 233.037 Da |
| Monoisotopic Mass | 233.037 Da |
| Topological Polar Surface Area | 21.300 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 176.000 |
| Isotope Atom Count | 0 |
| 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 | 2 |
