10-(3-Chlorophenyl)-7-nitropyrimido[4,5-b]quinoline-2,4-dione

Base Information

• Chemical Name: 10-(3-Chlorophenyl)-7-nitropyrimido[4,5-b]quinoline-2,4-dione
• CAS No.: 317326-90-2
• Molecular Formula: C17H9ClN4O4
• Molecular Weight: 368.73100
• NSC Number: 729131
• DSSTox Substance ID: DTXSID60360455
• Nikkaji Number: J2.875.724G
• Wikidata: Q82142207
• ChEMBL ID: CHEMBL390810

Synonyms:317326-90-2;HLI98C;10-(3-Chloro-phenyl)-7-nitro-10H-pyrimido[4,5-b]quinoline-2,4-dione;AC1LLQ0L;10-(3-chlorophenyl)-7-nitropyrimido[4,5-b]quinoline-2,4-dione;Oprea1_545450;Oprea1_576229;CHEMBL390810;SCHEMBL3217245;DTXSID60360455;NSC729131;AKOS040748532;NSC-729131;PD118199;A13654;SR-01000436303;SR-01000436303-1

Chemical Property of 10-(3-Chlorophenyl)-7-nitropyrimido[4,5-b]quinoline-2,4-dione

Chemical Property:

• PSA: 113.57000
• LogP: 3.31200
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 368.0312325
• Heavy Atom Count: 26
• Complexity: 716

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

10-(3-CHLOROPHENYL)-7-NITROPYRIMIDO[4,5-B]QUINOLINE-2,4-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)N2C3=C(C=C(C=C3)[N+](=O)[O-])C=C4C2=NC(=O)NC4=O

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