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N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-(4-methoxyphenyl)-4-quinolinecarboxamide

View entire compound with spectra: 2 NMR

N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-(4-methoxyphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID 2ICfkZCyWWM
InChI InChI=1S/C29H25N5O4S/c1-18-16-28(31-19(2)30-18)34-39(36,37)23-14-10-21(11-15-23)32-29(35)25-17-27(20-8-12-22(38-3)13-9-20)33-26-7-5-4-6-24(25)26/h4-17H,1-3H3,(H,32,35)(H,30,31,34)
InChIKey UMZJJNKQLSLGOL-UHFFFAOYSA-N
Mol Weight 539.61 g/mol
Molecular Formula C29H25N5O4S
Exact Mass 539.162725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 723tvGpaExF
Name N-(4-{[(2,6-dimethyl-4-pyrimidinyl)amino]sulfonyl}phenyl)-2-(4-methoxyphenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 539.162725475 u
Formula C29H25N5O4S
InChI InChI=1S/C29H25N5O4S/c1-18-16-28(31-19(2)30-18)34-39(36,37)23-14-10-21(11-15-23)32-29(35)25-17-27(20-8-12-22(38-3)13-9-20)33-26-7-5-4-6-24(25)26/h4-17H,1-3H3,(H,32,35)(H,30,31,34)
InChIKey UMZJJNKQLSLGOL-UHFFFAOYSA-N
Molecular Weight 539.610 g/mol
SMILES N(C(C1=CC(C2=CC=C(OC)C=C2)=NC2=C1C=CC=C2)=O)C=1C=CC(S(NC2=NC(C)=NC(=C2)C)(=O)=O)=CC1