3-Quinolinecarboxamide,N-[2-[[[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]amino]carbonyl]-4,5-dimethoxyphenyl]-


Chemical Name: 3-Quinolinecarboxamide,N-[2-[[[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]amino]carbonyl]-4,5-dimethoxyphenyl]-
CAS Number: 206873-63-4
Product Number: AG002IQ5(AGN-PC-0QWAGE)
Synonyms:
MDL No:
Molecular Formula: C38H38N4O6
Molecular Weight: 646.7315

Identification/Properties


Properties
MP:
>190ºC (dec.)
BP:
716°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
646.744g/mol
XLogP3:
6.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
11
Exact Mass:
646.279g/mol
Monoisotopic Mass:
646.279g/mol
Topological Polar Surface Area:
111A^2
Heavy Atom Count:
48
Formal Charge:
0
Complexity:
1040
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



With its unique chemical structure, N-[2-[[4-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide is a versatile compound frequently utilized in chemical synthesis. This compound plays a crucial role as a key building block in the creation of various organic molecules through a series of well-defined synthetic pathways. Its specific functionality and reactivity make it a valuable tool in the hands of synthetic chemists seeking to design and construct complex molecular structures with precision and efficiency. As an intermediate in the synthesis of intricate organic compounds, this substance contributes to the advancement of synthetic methodologies and the development of novel materials with diverse applications in pharmaceuticals, materials science, and beyond.