chempirical

2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinecarboxaldehyde

C19H14FNOCAS 121660-37-5291.33 g/mol

Open in Covalent MOL file
ONF
AldehydeAryl halide

Properties

Molecular formula
C19H14FNO
Molar mass
291.33 g/mol
Exact mass
291.1059 Da
logP
4.73Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
121660-37-5
SMILES
O=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1
InChIKey
JAHBIRPTCXOGLB-UHFFFAOYSA-N
InChI
InChI=1S/C19H14FNO/c20-14-9-7-12(8-10-14)18-15-3-1-2-4-17(15)21-19(13-5-6-13)16(18)11-22/h1-4,7-11,13H,5-6H2

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Names and synonyms

5 names
  • 3-Quinolinecarboxaldehyde, 2-cyclopropyl-4-(4-fluorophenyl)-
  • 2-Cyclopropyl-3-formyl-4-(4-fluorophenyl)quinoline
  • 2-Cyclopropyl-4-(4-fluorophenyl)quinoline-3-carboxaldehyde
  • 4-(4-Fluorophenyl)-2-cyclopropylquinoline-3-carboxaldehyde
  • 2-Cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde

Work with 2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinecarboxaldehyde

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

(2E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2-propenal148901-68-276 % similar (2E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2-propenenitrile256431-72-869 % similar [2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methanol121660-11-562 % similar 3-(Bromomethyl)-2-cyclopropyl-4-(4-fluorophenyl)quinoline154057-56-462 % similar Methyl 2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinecarboxylate121659-86-757 % similar Pitavastatin147511-69-155 % similar Pitavastatin calcium147526-32-752 % similar Ethyl (6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-5-hydroxy-3-oxo-6-heptenoate148901-69-351 % similar

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

Elsewhere

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