≥97% 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 | CC1=CC(=CC2=C(C(=CN=C12)C(=O)N)NC3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC(=C4)C(=O)O |
|---|---|
| IUPAC Name | 3-[3-carbamoyl-4-(3-methoxyanilino)-8-methylquinolin-6-yl]sulfonylbenzoic acid |
| InChIKey | SZZXZRJNNBZBOV-UHFFFAOYSA-N |
| INCHI | 1S/C25H21N3O6S/c1-14-9-19(35(32,33)18-8-3-5-15(10-18)25(30)31)12-20-22(14)27-13-21(24(26)29)23(20)28-16-6-4-7-17(11-16)34-2/h3-13H,1-2H3,(H2,26,29)(H,27,28)(H,30,31) |
| Isomeric SMILES | CC1=CC(=CC2=C(C(=CN=C12)C(=O)N)NC3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC(=C4)C(=O)O |
| PubChem CID | 57763288 |
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-3-carboxamides |
| Alternative Parents | 4-aminoquinolines Aminophenyl ethers Benzenesulfonyl compounds Pyridinecarboxylic acids and derivatives Benzoic acids Methoxyanilines Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Aminopyridines and derivatives Primary aromatic amines Heteroaromatic compounds Vinylogous amides Sulfones Primary carboxylic acid amides Amino acids Carboxylic acids Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline-3-carboxamide - Aminoquinoline - 4-aminoquinoline - Benzoic acid or derivatives - Aminophenyl ether - Benzoic acid - Pyridine carboxylic acid or derivatives - Benzenesulfonyl group - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Aminopyridine - Benzenoid - Pyridine - Primary aromatic amine - Monocyclic benzene moiety - Vinylogous amide - Sulfonyl - Sulfone - Heteroaromatic compound - Primary carboxylic acid amide - Amino acid - Amino acid or derivatives - Carboxamide group - Secondary amine - Azacycle - Ether - Carboxylic acid derivative - Carboxylic acid - Amine - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinoline-3-carboxamides. These are quinolines in which the quinoline ring system is substituted by one carboxamide group at the 3-position. |
| External Descriptors | Not available |
| Molecular Weight | 491.500 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 491.115 Da |
| Monoisotopic Mass | 491.115 Da |
| Topological Polar Surface Area | 157.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 877.000 |
| 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 |
