≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
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 | CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)CP(=O)(OCC)OCC |
|---|---|
| IUPAC Name | N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-2-diethoxyphosphorylacetamide |
| InChIKey | NCWDQEJFKNATGG-UHFFFAOYSA-N |
| INCHI | 1S/C30H31ClN5O6P/c1-4-39-28-15-25-23(14-26(28)36-29(37)19-43(38,41-5-2)42-6-3)30(20(16-32)17-34-25)35-21-10-11-27(24(31)13-21)40-18-22-9-7-8-12-33-22/h7-15,17H,4-6,18-19H2,1-3H3,(H,34,35)(H,36,37) |
| Isomeric SMILES | CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)CP(=O)(OCC)OCC |
| PubChem CID | 86667261 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Aminoquinolines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 4-aminoquinolines |
| Alternative Parents | Aminophenyl ethers Aniline and substituted anilines N-arylamides Phenoxy compounds Chlorobenzenes Dialkyl alkylphosphonates Aminopyridines and derivatives Alkyl aryl ethers Primary aromatic amines Aryl chlorides Phosphonic acid esters Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Nitriles Secondary amines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organophosphorus compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 4-aminoquinoline - Aminophenyl ether - Phenol ether - Phenoxy compound - N-arylamide - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Alkyl aryl ether - Phosphonic acid diester - Aminopyridine - Dialkyl alkylphosphonate - Benzenoid - Pyridine - Phosphonic acid ester - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Primary aromatic amine - Organophosphonic acid derivative - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Secondary amine - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Cyanide - Organophosphorus compound - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organohalogen compound - Organonitrogen compound - Organochloride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system. |
| External Descriptors | Not available |
| Molecular Weight | 624.000 g/mol |
|---|---|
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 14 |
| Exact Mass | 623.17 Da |
| Monoisotopic Mass | 623.17 Da |
| Topological Polar Surface Area | 145.000 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 976.000 |
| 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 |
