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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCOC1=CC2=C(C=C1)C=C(C(=O)N2)C3CC(=NN3S(=O)(=O)C)C4=CC=CO4 |
|---|---|
| IUPAC Name | 7-ethoxy-3-[5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1H-quinolin-2-one |
| InChIKey | ROUOWVCZUDHCAQ-UHFFFAOYSA-N |
| INCHI | 1S/C19H19N3O5S/c1-3-26-13-7-6-12-9-14(19(23)20-15(12)10-13)17-11-16(18-5-4-8-27-18)21-22(17)28(2,24)25/h4-10,17H,3,11H2,1-2H3,(H,20,23) |
| Molecular Weight | 401.4 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Quinolones and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroquinolones |
| Alternative Parents | Hydroquinolines Pyridinones Alkyl aryl ethers Benzenoids Sulfonyls Pyrazolines Organosulfonic acids and derivatives Furans Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dihydroquinolone - Dihydroquinoline - Alkyl aryl ether - Pyridinone - Pyridine - Benzenoid - Furan - Pyrazoline - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactam - Oxacycle - Ether - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group. |
| External Descriptors | Not available |
| Molecular Weight | 401.400 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 401.105 Da |
| Monoisotopic Mass | 401.105 Da |
| Topological Polar Surface Area | 110.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 788.000 |
| 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 |
![7-ethoxy-3-[5-(2-furanyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1H-quinolin-2-one , CAS No.796878-50-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)