2-[4-(4-Methylpiperazin-1-yl)phenyl]quinoline - ≥90% , CAS No.861206-59-9

CAS: 861206-59-9 Cat. No.: M1247334 Peso molecular: 303.41 PubChem CID: 4263090

GRADE & PURITY ≥90%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥90%

Nombres e identificadores

• Sonrisas canónicas: CN1CCN(CC1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C=C3
• IUPAC Name: 2-[4-(4-methylpiperazin-1-yl)phenyl]quinoline
• InChIKey: NFZVJHWAJYJGOY-UHFFFAOYSA-N
• INCHI: 1S/C20H21N3/c1-22-12-14-23(15-13-22)18-9-6-17(7-10-18)20-11-8-16-4-2-3-5-19(16)21-20/h2-11H,12-15H2,1H3
• Isómeros SMILES: CN1CCN(CC1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C=C3
• PubChem CID: 4263090
• Peso molecular: 303.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass Phenylquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Phenylquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylquinolines
• Alternative Parents: Phenylpyridines Phenylpiperazines N-arylpiperazines Dialkylarylamines Aniline and substituted anilines N-methylpiperazines Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - Phenylpiperazine - 2-phenylpyridine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - N-methylpiperazine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
• 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

Propiedades químicas y físicas

• Peso molecular: 303.400 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 303.174 Da
• Monoisotopic Mass: 303.174 Da
• Topological Polar Surface Area: 19.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 369.000
• 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