2,3-dihydro-1H-1,8-naphthyridin-4-one - ≥97% , CAS No.676515-33-6

CAS: 676515-33-6 Cat. No.: D634350 Molecular Weight: 148.16 EC Number: 831-185-3 PubChem CID: 19890880

GRADE & PURITY ≥97%

Synonyms

BCB51533 | naphthyridin-4(2H)-one | 1,8-Naphthyridin-4(1H)-one,2,3-dihydro-(9CI) | EN300-155426 | 2,3-dihydro-1H-1,8-naphthyridin-4-one | DTXSID70601043 | SY250825 | 1,2,3,4-tetrahydro-1,8-naphthyridin-4-one | GLGXFIOPGKDBIF-UHFFFAOYSA-N | AS-66306 | 2,8-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

BCB51533 | naphthyridin-4(2H)-one | 1, 8-Naphthyridin-4(1H)-one, 2, 3-dihydro-(9CI) | EN300-155426 | 2, 3-dihydro-1H-1, 8-naphthyridin-4-one | DTXSID70601043 | SY250825 | 1, 2, 3, 4-tetrahydro-1, 8-naphthyridin-4-one | GLGXFIOPGKDBIF-UHFFFAOYSA-N | AS-66306 | 2, 8-

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CNC2=C(C1=O)C=CC=N2
• IUPAC Name: 2,3-dihydro-1H-1,8-naphthyridin-4-one
• InChIKey: GLGXFIOPGKDBIF-UHFFFAOYSA-N
• INCHI: 1S/C8H8N2O/c11-7-3-5-10-8-6(7)2-1-4-9-8/h1-2,4H,3,5H2,(H,9,10)
• Isomeric SMILES: C1CNC2=C(C1=O)C=CC=N2
• Alternate CAS: 676515-33-6
• PubChem CID: 19890880
• Molecular Weight: 148.16

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: Aryl alkyl ketones Pyridines and derivatives Imidolactams Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthyridine - Aryl ketone - Aryl alkyl ketone - Pyridine - Imidolactam - Heteroaromatic compound - Vinylogous amide - Ketone - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - 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 These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings.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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 148.160 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 148.064 Da
• Monoisotopic Mass: 148.064 Da
• Topological Polar Surface Area: 42.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 169.000
• 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