2-Amino-4-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

Base Information

• Chemical Name: 2-Amino-4-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
• CAS No.: 311331-82-5
• Molecular Formula: C24H22N4O5
• Molecular Weight: 446.5
• European Community (EC) Number: 647-867-7
• Mol file: 311331-82-5.mol

Synonyms:2-amino-4-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile;2-amino-4-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile;311331-82-5;2-amino-4-(3,4-dimethoxyphenyl)-1-{4-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile;ChemDiv1_011017;Cambridge id 5405235;Oprea1_249060;HMS618E17;FVELFFXYSWZIEF-UHFFFAOYSA-N;STK753965;AKOS001704177;2-amino-4-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile;AG-205/36733017;SR-01000513723;SR-01000513723-1

Chemical Property of 2-Amino-4-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 446.15901982
• Heavy Atom Count: 33
• Complexity: 906

Purity/Quality:

2-AMINO-4-(3,4-DIMETHOXYPHENYL)-1-(4-NITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)[N+](=O)[O-])N)C#N)OC