Luotonin F , CAS No.244616-85-1

CAS: 244616-85-1 Cat. No.: L1262012 PubChem CID: 135457794

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)C=C(C=N2)C(=O)C3=NC4=CC=CC=C4C(=O)N3
• IUPAC Name: 2-(quinoline-3-carbonyl)-3H-quinazolin-4-one
• InChIKey: HSEIGGKZBVNIDH-UHFFFAOYSA-N
• INCHI: 1S/C18H11N3O2/c22-16(12-9-11-5-1-3-7-14(11)19-10-12)17-20-15-8-4-2-6-13(15)18(23)21-17/h1-10H,(H,20,21,23)
• Isomeric SMILES: C1=CC=C2C(=C1)C=C(C=N2)C(=O)C3=NC4=CC=CC=C4C(=O)N3
• Alternate CAS: 244616-85-1
• PubChem CID: 135457794
• MeSH Entry Terms: luotonin F

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Quinolines and derivatives Pyrimidinecarboxylic acids and derivatives Pyridinecarboxylic acids and derivatives Aryl ketones Pyrimidones Benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Quinoline - Pyridine carboxylic acid or derivatives - Pyrimidine-2-carboxylic acid or derivatives - Aryl ketone - Pyrimidone - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Ketone - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
• 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: 301.300 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 301.085 Da
• Monoisotopic Mass: 301.085 Da
• Topological Polar Surface Area: 71.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 530.000
• 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

Frequently Asked Questions

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 244616-85-1. InChIKey HSEIGGKZBVNIDH-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.