4-hydroxy-6-isopropyl-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione - ≥90% , CAS No.380633-63-6

CAS: 380633-63-6 Cat. No.: H1014426 Peso molecular: 271.27 PubChem CID: 54687582

GRADE & PURITY ≥90%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥90%

Nombres e identificadores

• Sonrisas canónicas: CC(C)N1C2=CC=CC=C2C3=C(C1=O)C(=CC(=O)O3)O
• IUPAC Name: 4-hydroxy-6-propan-2-ylpyrano[3,2-c]quinoline-2,5-dione
• InChIKey: PBBMHDQZZBVLCA-UHFFFAOYSA-N
• INCHI: 1S/C15H13NO4/c1-8(2)16-10-6-4-3-5-9(10)14-13(15(16)19)11(17)7-12(18)20-14/h3-8,17H,1-2H3
• Isómeros SMILES: CC(C)N1C2=CC=CC=C2C3=C(C1=O)C(=CC(=O)O3)O
• PubChem CID: 54687582
• Peso molecular: 271.27

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyranoquinolines
• Alternative Parents: Hydroquinolones Pyranopyridines Hydroquinolines Pyridinones Pyranones and derivatives Benzenoids Vinylogous acids Heteroaromatic compounds Lactams Lactones Azacyclic compounds Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyranoquinoline - Dihydroquinolone - Dihydroquinoline - Pyranopyridine - Pyranone - Pyridinone - Benzenoid - Pyridine - Pyran - Heteroaromatic compound - Vinylogous acid - Lactam - Lactone - Oxacycle - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyranoquinolines. These are polycyclic compounds containing a pyran ring fused to a quinoline moiety. Quinoline or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine.
• 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: 271.270 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 271.084 Da
• Monoisotopic Mass: 271.084 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 532.000
• 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