7-[Morpholin-4-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol , CAS No.307540-53-0

CAS: 307540-53-0 Cat. No.: M1280664 Peso molecular: 388.4

Storage

Room temperature

Shipped In

Normal

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: C1COCCN1C(C2=CC=C(C=C2)C(F)(F)F)C3=C(C4=C(C=CC=N4)C=C3)O
• IUPAC Name: 7-[morpholin-4-yl-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
• InChIKey: HCJRDVCEUFLOHP-UHFFFAOYSA-N
• INCHI: 1S/C21H19F3N2O2/c22-21(23,24)16-6-3-15(4-7-16)19(26-10-12-28-13-11-26)17-8-5-14-2-1-9-25-18(14)20(17)27/h1-9,19,27H,10-13H2
• Peso molecular: 388.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass 8-hydroxyquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: 8-hydroxyquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: 8-hydroxyquinolines
• Alternative Parents: Trifluoromethylbenzenes Aralkylamines 1-hydroxy-4-unsubstituted benzenoids Pyridines and derivatives Morpholines Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 8-hydroxyquinoline - Trifluoromethylbenzene - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Alkyl fluoride - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Organooxygen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 8-hydroxyquinolines. These are compounds containing a quinoline moiety, which carries a hydroxy group at the 8-position. Quinoline consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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: 388.400 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 388.14 Da
• Monoisotopic Mass: 388.14 Da
• Topological Polar Surface Area: 45.600 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 504.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1