2,2-Dimethyl-1-(6-((trimethylsilyl)ethynyl)-3,4-dihydro-1,8-naphthyridin-1(2H)-yl)propan-1-one , CAS No.1222533-79-0

CAS: 1222533-79-0 Cat. No.: D166574 Molecular Weight: 314.5 PubChem CID: 49761601

Synonyms

FT-0681941 | 2,2-Dimethyl-1-[6-(trimethylsilylethynyl)-3,4-dihydro-1,8-naphthyridin-1(2H)-yl]propan-1-one | 2,2-dimethyl-1-[6-(2-trimethylsilylethynyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]propan-1-one | AKOS015841140 | A891161 | 1-Propanone, 1-[3,4-dihyd

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

FT-0681941 | 2, 2-Dimethyl-1-[6-(trimethylsilylethynyl)-3, 4-dihydro-1, 8-naphthyridin-1(2H)-yl]propan-1-one | 2, 2-dimethyl-1-[6-(2-trimethylsilylethynyl)-3, 4-dihydro-2H-1, 8-naphthyridin-1-yl]propan-1-one | AKOS015841140 | A891161 | 1-Propanone, 1-[3, 4-dihyd

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CC(C)(C)C(=O)N1CCCC2=C1N=CC(=C2)C#C[Si](C)(C)C
• IUPAC Name: 2,2-dimethyl-1-[6-(2-trimethylsilylethynyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]propan-1-one
• InChIKey: PNGGZNBXNFIFQM-UHFFFAOYSA-N
• INCHI: 1S/C18H26N2OSi/c1-18(2,3)17(21)20-10-7-8-15-12-14(13-19-16(15)20)9-11-22(4,5)6/h12-13H,7-8,10H2,1-6H3
• Isomeric SMILES: CC(C)(C)C(=O)N1CCCC2=C1N=CC(=C2)C#C[Si](C)(C)C
• PubChem CID: 49761601
• Molecular Weight: 314.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Naphthyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Naphthyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthyridines
• Alternative Parents: Pyridines and derivatives Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylsilanes Tertiary amines Amino acids and derivatives Organic metalloid salts Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthyridine - Pyridine - Imidolactam - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Trialkylsilane - Carboxamide group - Tertiary amine - Azacycle - Organic metalloid salt - Carboxylic acid derivative - Hydrocarbon derivative - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic nitrogen compound - Alkylsilane - Organosilicon compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.
• 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: 314.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 314.181 Da
• Monoisotopic Mass: 314.181 Da
• Topological Polar Surface Area: 33.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 489.000
• 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

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