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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CN1CCCN(CC1)C(=O)C2=CC=CC(=C2)C3=CC=C(O3)C=C4C5=C(C=CC(=C5)Cl)NC4=O |
|---|---|
| IUPAC Name | 5-chloro-3-[[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one |
| InChIKey | KGBPLKOPSFDBOX-UHFFFAOYSA-N |
| INCHI | 1S/C26H24ClN3O3/c1-29-10-3-11-30(13-12-29)26(32)18-5-2-4-17(14-18)24-9-7-20(33-24)16-22-21-15-19(27)6-8-23(21)28-25(22)31/h2,4-9,14-16H,3,10-13H2,1H3,(H,28,31) |
| Molecular Weight | 461.9 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Indolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolines |
| Alternative Parents | Benzamides Benzoyl derivatives 1,4-diazepanes Aryl chlorides Tertiary carboxylic acid amides Furans Heteroaromatic compounds Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzamide - Benzoic acid or derivatives - Dihydroindole - Benzoyl - 1,4-diazepane - Diazepane - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Furan - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Oxacycle - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole. |
| External Descriptors | Not available |
| Molecular Weight | 461.900 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 461.151 Da |
| Monoisotopic Mass | 461.151 Da |
| Topological Polar Surface Area | 65.800 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 774.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
![(3E)-5-chloro-3-({5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl}methylidene)-2,3-dihydro-1H-indol-2-one , CAS No.66774402](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)