Cinoxacin

C12H10N2O5CAS 28657-80-9262.22 g/mol

Open in Covalent MOL file
NNOHOOOO
AcetalCarboxylic acidEther

Properties

Molecular formula
C12H10N2O5
Molar mass
262.22 g/mol
Exact mass
262.0590 Da
Melting point
261 °C (decomposes)
pKa
4.7
logP
0.84Crippen estimate
Polar surface area
90.7 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
28657-80-9
SMILES
CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3
InChIKey
VDUWPHTZYNWKRN-UHFFFAOYSA-N
InChI
InChI=1S/C12H10N2O5/c1-2-14-7-4-9-8(18-5-19-9)3-6(7)11(15)10(13-14)12(16)17/h3-4H,2,5H2,1H3,(H,16,17)

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Names and synonyms

11 names
  • [1,3]Dioxolo[4,5-g]cinnoline-3-carboxylic acid, 1-ethyl-1,4-dihydro-4-oxo-
  • 1-Ethyl-1,4-dihydro-4-oxo[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid
  • Compound 64716
  • Cinobac
  • 1-Ethyl-3-carboxy-6,7-methylenedioxy-4-cinnolone
  • Uronorm
  • Noxigram
  • NSC 304467
  • Cinobactin
  • 1-Ethyl-4-oxo-1H,4H,7H-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid
  • 1-Ethyl-4-oxo-1,4-dihydro-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid

Work with Cinoxacin

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

Oxolinic acid14698-29-460 % similar 1-Ethyl-3-methyl-1H-pyrazole-5-carboxylic acid50920-65-540 % similar 1,3-Benzodioxole-5-carboxylic acid94-53-137 % similar 7-Chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid68077-26-936 % similar Nalidixic acid389-08-233 % similar 3,4,5-Triethoxybenzoic acid6970-19-033 % similar 1-Methylindazole-3-carboxylic acid50890-83-033 % similar 3,4-Diethoxybenzoic acid5409-31-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook