1-Ethyl-4-morpholin-4-yl-3-nitroquinolin-2-one , CAS No.433314-75-1

CAS: 433314-75-1 Cat. No.: E1277394 Formule: C₁₅H₁₇N₃O₄ Poids moléculaire: 303.31

Storage

Room temperature

Specifications

Conditions de stockage de stockage

Room temperature

Noms et identifiants

Sourires canoniques

CCN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CCOCC3

IUPAC Name

1-ethyl-4-morpholin-4-yl-3-nitroquinolin-2-one

InChIKey

MRJYZJIUXASXQS-UHFFFAOYSA-N

INCHI

1S/C15H17N3O4/c1-2-17-12-6-4-3-5-11(12)13(14(15(17)19)18(20)21)16-7-9-22-10-8-16/h3-6H,2,7-10H2,1H3

Poids moléculaire

303.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Nitroquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Nitroquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitroquinolines and derivatives
• Alternative Parents: 4-aminoquinolines Hydroquinolones Hydroquinolines Dialkylarylamines Nitroaromatic compounds Pyridinones Aminopyridines and derivatives Benzenoids Morpholines Vinylogous amides Heteroaromatic compounds Lactams Organic oxoazanium compounds Dialkyl ethers Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Nitroquinoline - Aminoquinoline - 4-aminoquinoline - Dihydroquinolone - Dihydroquinoline - Nitroaromatic compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyridine - Pyridinone - Morpholine - Oxazinane - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Organic nitro compound - Tertiary amine - C-nitro compound - Lactam - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Dialkyl ether - Organic oxoazanium - Ether - Organic oxygen compound - Amine - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as nitroquinolines and derivatives. These are compounds containing a nitro group attached to a quinoline moiety.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 303.310 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 303.122 Da
• Monoisotopic Mass: 303.122 Da
• Topological Polar Surface Area: 78.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 494.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 433314-75-1, the molecular formula is C15H17N3O4, and the molecular weight is 303.31 g/mol. InChIKey MRJYZJIUXASXQS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.