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MLN9708

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Identification
Molecular formula
C20H19F3N4O4
CAS number
1234017-57-2
IUPAC name
6-(1-methoxy-4-oxo-3-quinolyl)-9-(6-oxooctyl)-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
State
State

The compound is a solid at room temperature.

Melting point (Celsius)
230.00
Melting point (Kelvin)
503.15
Boiling point (Celsius)
500.00
Boiling point (Kelvin)
773.15
General information
Molecular weight
517.54g/mol
Molar mass
517.5350g/mol
Density
1.3400g/cm3
Appearence

The compound is usually found as an off-white to light yellow solid.

Comment on solubility

Solubility of 6-(1-methoxy-4-oxo-3-quinolyl)-9-(6-oxooctyl)-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone

The compound with the chemical formula C20H19F3N4O4 exhibits unique solubility characteristics that warrant discussion. Its specific structure, which includes various functional groups, influences its solubility in different environments. Generally, we can summarize its solubility behavior as follows:

  • Polar Solvents: Due to the presence of polar functional groups, this compound is likely to have moderate solubility in polar solvents such as water and alcohols.
  • Nonpolar Solvents: The large hydrophobic regions present in the structure suggest that the solubility in nonpolar solvents might be higher, allowing the compound to dissolve well in organic solvents like hexane or chloroform.
  • pH Influence: The solubility could be affected by the pH of the solution; certain ionizable groups may either enhance or decrease solubility based on whether they are protonated or deprotonated.
  • Temperature Effects: As with many chemical compounds, an increase in temperature may enhance the solubility by providing more kinetic energy to overcome any lattice energy in solid form.

In conclusion, understanding the solubility of this compound requires considering various factors such as the solvent type, polarity, pH levels, and temperature. Thus, it can be said that significant variations can occur based on these parameters. As the saying goes, "Solubility is a key determinant of a chemical's utility, affecting its behavior in physiological and environmental contexts."

Interesting facts

Interesting Facts about 6-(1-methoxy-4-oxo-3-quinolyl)-9-(6-oxooctyl)-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone

This compound is not just a complex name; it harbors a wealth of intriguing characteristics that make it significant in various fields of study. Here are some fascinating insights:

  • Structural Diversity: The compound showcases a unique structural motif featuring a bicyclic framework, specifically the tetrazabicyclo structure. This is notable for its potential applications in medicinal chemistry.
  • Active Functional Groups: With functional groups such as quinolyl and multiple carbonyls, this compound exhibits versatility in chemical reactivity, enabling it to participate in various organic reactions.
  • Biological Relevance: Compounds containing quinoline derivatives have been studied extensively for their biological activities, often exhibiting properties such as antimalarial, antibacterial, and anticancer effects. This particular compound may hold similar potential, warranting further investigation.
  • Complexity in Synthesis: The synthesis route for this molecule can be quite intricate due to the presence of multiple functional groups and stereocenters. As such, it provides a fascinating challenge for synthetic chemists.
  • Applications in Drug Design: The presence of diverse functional groups and a complex frame makes it a potential candidate in drug design, potentially leading to the development of new therapeutic agents.

In summary, the complexity and unique features of this compound reflect both the challenges and opportunities in modern chemical research. As chemists continue to explore such diverse molecular structures, they pave the way for innovation and discovery in pharmaceuticals and materials science.