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N-(1-butyl-6-methoxy-1H-pyrazolo[3,4-b]quinolin-3-yl)-4-chlorobenzamide

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N-(1-butyl-6-methoxy-1H-pyrazolo[3,4-b]quinolin-3-yl)-4-chlorobenzamide
SpectraBase Compound ID 7LRh1ygLCHv
InChI InChI=1S/C22H21ClN4O2/c1-3-4-11-27-21-18(13-15-12-17(29-2)9-10-19(15)24-21)20(26-27)25-22(28)14-5-7-16(23)8-6-14/h5-10,12-13H,3-4,11H2,1-2H3,(H,25,26,28)
InChIKey LMFIAUBQAOUCCV-UHFFFAOYSA-N
Mol Weight 408.89 g/mol
Molecular Formula C22H21ClN4O2
Exact Mass 408.135304 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3XrkAf4sRxw
Name N-(1-Butyl-6-methoxy-1H-pyrazolo[3,4-B]quinolin-3-yl)-4-chlorobenzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.135303630 u
Formula C22H21ClN4O2
InChI InChI=1S/C22H21ClN4O2/c1-3-4-11-27-21-18(13-15-12-17(29-2)9-10-19(15)24-21)20(26-27)25-22(28)14-5-7-16(23)8-6-14/h5-10,12-13H,3-4,11H2,1-2H3,(H,25,26,28)
InChIKey LMFIAUBQAOUCCV-UHFFFAOYSA-N
Molecular Weight 408.889 g/mol
SMILES N(C=1C=2C(=NC=3C(C2)=CC(=CC3)OC)N(N1)CCCC)C(C1=CC=C(C=C1)Cl)=O