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

C₂₁H₁₆FNOCAS 148901-68-2317.36 g/mol

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Aldehyde Halogen

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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

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

3 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

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

Elsewhere

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