chempirical

Methyl 2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinecarboxylate

C20H16FNO2CAS 121659-86-7321.35 g/mol

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OONF
Aryl halideEster

Properties

Molecular formula
C20H16FNO2
Molar mass
321.35 g/mol
Exact mass
321.1165 Da
logP
4.70Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
121659-86-7
SMILES
COC(=O)c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1
InChIKey
RNXQZVFWKIPEOJ-UHFFFAOYSA-N
InChI
InChI=1S/C20H16FNO2/c1-24-20(23)18-17(12-8-10-14(21)11-9-12)15-4-2-3-5-16(15)22-19(18)13-6-7-13/h2-5,8-11,13H,6-7H2,1H3

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Names and synonyms

3 names
  • 3-Quinolinecarboxylic acid, 2-cyclopropyl-4-(4-fluorophenyl)-, methyl ester
  • 4-(4-Fluorophenyl)-2-cyclopropylquinoline-3-carboxylic acid methyl ester
  • 2-Cyclopropyl-4-(4-fluorophenyl)quinoline-3-carboxylic acid methyl ester

Work with Methyl 2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinecarboxylate

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

2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinecarboxaldehyde121660-37-557 % similar [2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methanol121660-11-555 % similar 3-(Bromomethyl)-2-cyclopropyl-4-(4-fluorophenyl)quinoline154057-56-455 % similar (2E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2-propenal148901-68-253 % similar (2E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2-propenenitrile256431-72-851 % similar Ethyl (6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoate148901-69-347 % similar Ethyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoate172336-32-247 % similar Pitavastatin147511-69-147 % similar

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

Elsewhere

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