(2E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2-propenal

C21H16FNOCAS 148901-68-2317.36 g/mol

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ONF
AldehydeAlkeneAryl halide

Properties

Molecular formula
C21H16FNO
Molar mass
317.36 g/mol
Exact mass
317.1216 Da
Melting point
136–142 °C
logP
5.13Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
148901-68-2
SMILES
O=C/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1
InChIKey
WULPWIFGZFQFEQ-HWKANZROSA-N
InChI
InChI=1S/C21H16FNO/c22-16-11-9-14(10-12-16)20-17-4-1-2-6-19(17)23-21(15-7-8-15)18(20)5-3-13-24/h1-6,9-13,15H,7-8H2/b5-3+

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Names and synonyms

4 names
  • 2-Propenal, 3-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-, (2E)-
  • 2-Propenal, 3-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-, (E)-
  • (E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-en-1-al
  • (E)-3-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)acrylaldehyde

Work with (2E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2-propenal

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-quinolinecarboxaldehyde121660-37-576 % similar (E)-3-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)acrylonitrile256431-72-870 % similar [2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]methanol121660-11-557 % similar 3-(Bromomethyl)-2-cyclopropyl-4-(4-fluorophenyl)quinoline154057-56-457 % similar Pitavastatin lactone141750-63-257 % similar Pitavastatin147511-69-157 % similar Pitavastatin calcium147526-32-754 % similar Methyl 2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinecarboxylate121659-86-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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