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Basic Description
| Specifications & Purity | ≥97% |
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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 Phenylquinolines
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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 | Phenylquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylquinolines |
| Alternative Parents | Quinoline carboxylic acids Phenylpyridines Hydroxyquinolines Pyridinecarboxylic acids Hydroxypyridines Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylquinoline - Quinoline-4-carboxylic acid - 2-phenylpyridine - Hydroxyquinoline - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Hydroxypyridine - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group. |
| External Descriptors | Not available |
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Product Properties
| ALogP | 3.6 |
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Associated Targets(Human)
DHODH
Tclin
Dihydroorotate dehydrogenase (2737 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SELPLG
Tbio
P-selectin glycoprotein ligand 1 (134 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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PDE10A
Tclin
Phosphodiesterase 10A (5542 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Selp
P-selectin (7 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 | 3-hydroxy-2-phenylquinoline-4-carboxylic acid |
|---|---|
| INCHI | InChI=1S/C16H11NO3/c18-15-13(16(19)20)11-8-4-5-9-12(11)17-14(15)10-6-2-1-3-7-10/h1-9,18H,(H,19,20) |
| InChIKey | XAPRFLSJBSXESP-UHFFFAOYSA-N |
| Smiles | C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2O)C(=O)O |
| Isomeric SMILES | C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2O)C(=O)O |
| PubChem CID | 10239 |
| Molecular Weight | 265.26 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 265.260 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 265.074 Da |
| Monoisotopic Mass | 265.074 Da |
| Topological Polar Surface Area | 70.400 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 354.000 |
| 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
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