4-(6-Bromoquinolin-4-yl)morpholine - ≥95% , CAS No.474707-20-5

CAS: 474707-20-5 Cat. No.: B998361 Molecular Weight: 293.160 EC Number: 191-613-3

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1COCCN1C2=C3C=C(C=CC3=NC=C2)Br
• IUPAC Name: 4-(6-bromoquinolin-4-yl)morpholine
• InChIKey: LBFRLXVNPMYUKI-UHFFFAOYSA-N
• INCHI: 1S/C13H13BrN2O/c14-10-1-2-12-11(9-10)13(3-4-15-12)16-5-7-17-8-6-16/h1-4,9H,5-8H2
• Molecular Weight: 293.160

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-aminoquinolines
• Alternative Parents: Haloquinolines Dialkylarylamines Aminopyridines and derivatives Morpholines Benzenoids Aryl bromides Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Haloquinoline - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyridine - Aryl bromide - Aryl halide - Morpholine - Oxazinane - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system.
• 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

Chemical and Physical Properties

• Molecular Weight: 293.160 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 292.021 Da
• Monoisotopic Mass: 292.021 Da
• Topological Polar Surface Area: 25.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 258.000
• 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