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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3S(=O)(=O)C)C4=CC=CO4)Cl |
|---|---|
| IUPAC Name | 2-chloro-3-[5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-7-methylquinoline |
| InChIKey | ZWNMTGDJVLSHBG-UHFFFAOYSA-N |
| INCHI | 1S/C18H16ClN3O3S/c1-11-5-6-12-9-13(18(19)20-14(12)8-11)16-10-15(17-4-3-7-25-17)21-22(16)26(2,23)24/h3-9,16H,10H2,1-2H3 |
| Molecular Weight | 389.9 |
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 | Haloquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chloroquinolines |
| Alternative Parents | 2-halopyridines Aryl chlorides Benzenoids Sulfonyls Pyrazolines Furans Heteroaromatic compounds Organosulfonic acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chloroquinoline - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Furan - Pyrazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Azacycle - Oxacycle - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms. |
| External Descriptors | Not available |
| Molecular Weight | 389.900 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 389.06 Da |
| Monoisotopic Mass | 389.06 Da |
| Topological Polar Surface Area | 84.200 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 665.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-chloro-3-[3-(2-furyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazol-5-yl]-7-methylquinoline , CAS No.667898-81-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)