Isodictamnine , CAS No.484-74-2

CAS: 484-74-2 Cat. No.: I1351147 PubChem CID: 442913

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Namen und Kennungen

Kanonisches Lächeln

CN1C2=CC=CC=C2C(=O)C3=C1OC=C3

IUPAC Name

9-methylfuro[2,3-b]quinolin-4-one

InChIKey

FUVCJKNEOUWLPI-UHFFFAOYSA-N

INCHI

1S/C12H9NO2/c1-13-10-5-3-2-4-8(10)11(14)9-6-7-15-12(9)13/h2-7H,1H3

Isomere SMILES

CN1C2=CC=CC=C2C(=O)C3=C1OC=C3

Alternative CAS-Nummer

484-74-2

PubChem CID

442913

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives
      • Subclass Furanoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Furanoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Furanoquinolines
• Alternative Parents: Hydroquinolones Hydroquinolines Furopyridines Pyridines and derivatives Benzenoids Vinylogous amides Heteroaromatic compounds Furans Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furanoquinoline - Dihydroquinolone - Dihydroquinoline - Furopyridine - Pyridine - Benzenoid - Furan - Vinylogous amide - Heteroaromatic compound - Azacycle - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as furanoquinolines. These are compounds containing a furan ring fused to a quinoline.
• External Descriptors: Quinoline alkaloids

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 199.200 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 199.063 Da
• Monoisotopic Mass: 199.063 Da
• Topological Polar Surface Area: 33.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 279.000
• 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