chempirical

Dipotassium 2,2′-biquinoline-4,4′-dicarboxylate

C20H10K2N2O4CAS 63451-34-3420.51 g/mol

Open in Covalent MOL file
O−OO−ONNK+K+
Carboxylic acid

Properties

Molecular formula
C20H10K2N2O4
Molar mass
420.51 g/mol
Exact mass
419.9915 Da
logP
3.08Crippen estimate
Polar surface area
100.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
63451-34-3
SMILES
[O-]C(=O)c1cc(-c2cc(C([O-])=O)c3ccccc3n2)nc2ccccc12.[K+].[K+]
InChIKey
HRNSKWTYGVQLDN-UHFFFAOYSA-N
InChI
InChI=1S/C20H12N2O4.2K/c23-19(24)13-9-17(21-15-7-3-1-5-11(13)15)18-10-14(20(25)26)12-6-2-4-8-16(12)22-18;;/h1-10H,(H,23,24)(H,25,26);;

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Names and synonyms

2 names
  • [2,2′-Biquinoline]-4,4′-dicarboxylic acid, potassium salt (1:2)
  • [2,2′-Biquinoline]-4,4′-dicarboxylic acid, dipotassium salt

Work with Dipotassium 2,2′-biquinoline-4,4′-dicarboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Disodium bicinchoninate979-88-483 % similar Bicinchoninic acid1245-13-256 % similar Potassium phthalate29801-94-345 % similar Potassium salicylate578-36-945 % similar Potassium hydrogen phthalate877-24-745 % similar 2-(2-Chlorophenyl)-4-quinolinecarboxylic acid20389-09-744 % similar Potassium benzoate582-25-243 % similar 2-(4-Bromo-phenyl)-quinoline-4-carboxylic acid103914-52-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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