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Basic Description
| Synonyms | 1-methyl-1,2,3,4-tetrahydroquinoline-6-carbaldehyde | 493-50-5 | 1-Methyl-1,2,3,4-tetrahydro-quinoline-6-carbaldehyde | 1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde | 1-Methyl-1,2,3,4-tetrahydro-6-quinolinecarbaldehyde | MFCD03180300 | 6-QUINOLINECARBOXALDEHYDE, |
|---|---|
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Quinolines and derivatives
- Subclass Hydroquinolines
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Class
Quinolines and derivatives
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Hydroquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroquinolines |
| Alternative Parents | Dialkylarylamines Aryl-aldehydes Aralkylamines Benzenoids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Tetrahydroquinoline - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aryl-aldehyde - Aralkylamine - Benzenoid - Tertiary amine - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - 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 |
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Associated Targets(Human)
PLK1
Tchem
Serine/threonine-protein kinase PLK1 (28605 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
GAA
Tclin
Lysosomal alpha-glucosidase (35701 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ALDH1A1
Tchem
Aldehyde dehydrogenase 1A1 (77053 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
HPGD
Tchem
15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MBNL1
Tbio
Muscleblind-like protein 1 (34431 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Txnrd1
Thioredoxin reductase 1, cytoplasmic (45279 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mapt
Microtubule-associated protein tau (6 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | 1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde |
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| INCHI | InChI=1S/C11H13NO/c1-12-6-2-3-10-7-9(8-13)4-5-11(10)12/h4-5,7-8H,2-3,6H2,1H3 |
| InChIKey | XPXZIZIGEKZVMQ-UHFFFAOYSA-N |
| Smiles | CN1CCCC2=C1C=CC(=C2)C=O |
| Isomeric SMILES | CN1CCCC2=C1C=CC(=C2)C=O |
| WGK Germany | 3 |
| Molecular Weight | 175.23 |
| Reaxy-Rn | 135018 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=135018&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 175.230 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 175.1 Da |
| Monoisotopic Mass | 175.1 Da |
| Topological Polar Surface Area | 20.300 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 193.000 |
| 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 | 1 |
Solution Calculators
Reviews
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