≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)OC4=CC=CC=C4)Cl |
|---|---|
| IUPAC Name | phenyl N-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]carbamate |
| InChIKey | BNMGPDZKAHVEQH-UHFFFAOYSA-N |
| INCHI | 1S/C24H18ClN3O5/c1-31-22-13-20-16(12-17(22)23(26)29)21(9-10-27-20)32-15-7-8-19(18(25)11-15)28-24(30)33-14-5-3-2-4-6-14/h2-13H,1H3,(H2,26,29)(H,28,30) |
| Isomeric SMILES | COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)OC4=CC=CC=C4)Cl |
| Alternate CAS | 417722-95-3 |
| PubChem CID | 22936529 |
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 | Quinoline carboxamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinoline carboxamides |
| Alternative Parents | Phenylcarbamic acid esters Diarylethers Phenoxy compounds Anisoles Alkyl aryl ethers Chlorobenzenes Pyridines and derivatives Aryl chlorides Carbamate esters Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline-6-carboxamide - Phenylcarbamic acid ester - Diaryl ether - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Carbamic acid ester - Carboxamide group - Primary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinoline carboxamides. These are quinolines in which the quinoline ring system is substituted by one or more carboxamide groups. |
| External Descriptors | Not available |
| Molecular Weight | 463.900 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 463.093 Da |
| Monoisotopic Mass | 463.093 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 676.000 |
| 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 |
