chempirical

4-Hydroxy-6-methoxyquinoline-3-carboxylic acid

C11H9NO4CAS 28027-16-9219.20 g/mol

Open in Covalent MOL file
ONHOOHO
Carboxylic acidEther

Properties

Molecular formula
C11H9NO4
Molar mass
219.20 g/mol
Exact mass
219.0532 Da
logP
1.23Crippen estimate
Polar surface area
79.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
28027-16-9
SMILES
COC1=CC2=C(C=C1)NC=C(C2=O)C(=O)O
InChIKey
YUXLPEGMXYHPCZ-UHFFFAOYSA-N
InChI
InChI=1S/C11H9NO4/c1-16-6-2-3-9-7(4-6)10(13)8(5-12-9)11(14)15/h2-5H,1H3,(H,12,13)(H,14,15)

Weigh it out

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Work with 4-Hydroxy-6-methoxyquinoline-3-carboxylic acid

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

5-Methoxy-1H-indole-3-carboxylic acid10242-01-080 % similar 4-Hydroxy-6-(trifluoromethoxy)-3-quinolinecarboxylic acid175203-86-868 % similar 1,4-Dihydro-6-fluoro-4-oxoquinoline-3-carboxylic acid343-10-264 % similar 6-Chloro-4-hydroxyquinoline-3-carboxylic acid35973-14-964 % similar 1,4-Dihydro-4-oxo-3-quinolinecarboxylic acid13721-01-260 % similar 4-Methoxyphthalic acid1885-13-855 % similar 7-Chloro-4-hydroxyquinoline-3-carboxylic acid86-47-554 % similar 5-Methoxy-1H-indole-2-carboxylic acid4382-54-153 % similar

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

Same formula

1,3-Dihydro-α-methyl-1,3-dioxo-2H-isoindole-2-acetic acid21860-84-4 N-Carbethoxyphthalimide22509-74-6 2,5-Dioxopyrrolidin-1-yl benzoate23405-15-4 5-(4-Nitrophenyl)furfuryl alcohol33342-30-2 N-Phthaloyl-β-alanine3339-73-9

Elsewhere

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