SN6 - Moligand™ , CAS No.S613642

CAS: S613642 Cat. No.: S613642 PubChem CID: 128904

GRADE & PURITY Moligand™

Synonyms

SN 6999 | 1-methyl-4-{[4-({4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolin-1-ium | Q27088831 | Quinolinium, 1-methyl-4-((4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)- | N-[4-[(1-methylpyridin-1-ium

Storage

Room temperature

Specifications

Synonyms

SN 6999 | 1-methyl-4-{[4-({4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolin-1-ium | Q27088831 | Quinolinium, 1-methyl-4-((4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)- | N-[4-[(1-methylpyridin-1-ium

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Names and Identifiers

• Canonical Smiles: C[n+]1ccc(cc1)Nc1ccc(cc1)NC(=O)c1ccc(cc1)Nc1cc[n+](c2c1cccc2)C
• IUPAC Name: 1-methyl-4-{[4-({4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolin-1-ium
• InChIKey: PMCURUPNDHFYCG-UHFFFAOYSA-P
• INCHI: 1S/C29H25N5O/c1-33-18-15-25(16-19-33)30-22-11-13-24(14-12-22)32-29(35)21-7-9-23(10-8-21)31-27-17-20-34(2)28-6-4-3-5-26(27)28/h3-20H,1-2H3,(H,32,35)/p+2
• Isomeric SMILES: C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=CC=[N+](C5=CC=CC=C45)C
• PubChem CID: 128904

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: 4-aminoquinolines Aminobenzoic acids and derivatives Benzamides Aniline and substituted anilines Benzoyl derivatives Aminopyridines and derivatives N-methylpyridinium compounds Pyridinium derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzanilide - Aminoquinoline - 4-aminoquinoline - Aminobenzoic acid or derivatives - Quinoline - Benzamide - Benzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - N-methylpyridinium - Aminopyridine - Pyridinium - Pyridine - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action