5,8-Dimethyl-6-[(3-nitro-4-pyridinyl)amino]-1(2H)-isoquinolinone

Base Information

• Chemical Name: 5,8-Dimethyl-6-[(3-nitro-4-pyridinyl)amino]-1(2H)-isoquinolinone
• CAS No.: 69022-59-9
• Molecular Formula: C₁₆H₁₄N₄O₃
• Molecular Weight: 310.312
• DSSTox Substance ID: DTXSID101170837

Synonyms:69022-59-9;DTXSID101170837;5,8-Dimethyl-6-[(3-nitro-4-pyridinyl)amino]-1(2H)-isoquinolinone

Chemical Property of 5,8-Dimethyl-6-[(3-nitro-4-pyridinyl)amino]-1(2H)-isoquinolinone

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 310.10659032
• Heavy Atom Count: 23
• Complexity: 504

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C2=C1C(=O)NC=C2)C)NC3=C(C=NC=C3)[N+](=O)[O-]

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