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

C₂₁H₁₅FN₂CAS 256431-72-8314.36 g/mol

Open in Covalent MOL file

Halogen Nitrile

Properties

Molecular formula: C₂₁H₁₅FN₂
Molar mass: 314.36 g/mol
Exact mass: 314.1219 Da
logP: 5.46Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

256431-72-8

SMILES

N#C/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

InChIKey

BFDPBLWCXIOOLM-HWKANZROSA-N

InChI

InChI=1S/C21H15FN2/c22-16-11-9-14(10-12-16)20-17-4-1-2-6-19(17)24-21(15-7-8-15)18(20)5-3-13-23/h1-6,9-12,15H,7-8H2/b5-3+

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Names and synonyms

1 names

2-Propenenitrile, 3-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-, (2E)-

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

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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