4-(4-Morpholinyl)-2-phenylquinoline , CAS No.14281-59-5

CAS: 14281-59-5 Cat. No.: M982188 Peso molecular: 290.400 Número EC: 150-859-1

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: C1COCCN1C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4
• IUPAC Name: 4-(2-phenylquinolin-4-yl)morpholine
• InChIKey: CXVUZJPGGALLBW-UHFFFAOYSA-N
• INCHI: 1S/C19H18N2O/c1-2-6-15(7-3-1)18-14-19(21-10-12-22-13-11-21)16-8-4-5-9-17(16)20-18/h1-9,14H,10-13H2
• Peso molecular: 290.400

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 4-aminoquinolines Dialkylarylamines Aminopyridines and derivatives Morpholines Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylquinoline - 2-phenylpyridine - Aminoquinoline - 4-aminoquinoline - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyridine - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen 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: 290.400 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 290.142 Da
• Monoisotopic Mass: 290.142 Da
• Topological Polar Surface Area: 25.400 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 349.000
• 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