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2-(4-Ethoxyphenyl)-4-{[4-(2-fluorophenyl)-1-piperazinyl]carbonyl}-6-methylquinoline

View entire compound with spectra: 2 NMR

2-(4-Ethoxyphenyl)-4-{[4-(2-fluorophenyl)-1-piperazinyl]carbonyl}-6-methylquinoline
SpectraBase Compound ID CNDTT87dkKc
InChI InChI=1S/C29H28FN3O2/c1-3-35-22-11-9-21(10-12-22)27-19-24(23-18-20(2)8-13-26(23)31-27)29(34)33-16-14-32(15-17-33)28-7-5-4-6-25(28)30/h4-13,18-19H,3,14-17H2,1-2H3
InChIKey OQEXNHCFXTUPEC-UHFFFAOYSA-N
Mol Weight 469.56 g/mol
Molecular Formula C29H28FN3O2
Exact Mass 469.216555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AJck1n4qZHH
Name 2-(4-Ethoxyphenyl)-4-{[4-(2-fluorophenyl)-1-piperazinyl]carbonyl}-6-methylquinoline
Comments Computed using HOSE algorithm
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Exact Mass 469.216555315 u
Formula C29H28FN3O2
InChI InChI=1S/C29H28FN3O2/c1-3-35-22-11-9-21(10-12-22)27-19-24(23-18-20(2)8-13-26(23)31-27)29(34)33-16-14-32(15-17-33)28-7-5-4-6-25(28)30/h4-13,18-19H,3,14-17H2,1-2H3
InChIKey OQEXNHCFXTUPEC-UHFFFAOYSA-N
Molecular Weight 469.560 g/mol
SMILES C1(C(N2CCN(CC2)C2=C(F)C=CC=C2)=O)=C2C(C=CC(=C2)C)=NC(=C1)C=1C=CC(=CC1)OCC