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5-ethyl-N-[(1S)-1-{[(2-hydroxyethyl)amino]carbonyl}-3-(methylsulfanyl)propyl]-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide

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5-ethyl-N-[(1S)-1-{[(2-hydroxyethyl)amino]carbonyl}-3-(methylsulfanyl)propyl]-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
SpectraBase Compound ID ExDjEqT1k55
InChI InChI=1S/C20H25N3O6S/c1-3-23-10-13(18(25)12-8-16-17(9-15(12)23)29-11-28-16)19(26)22-14(4-7-30-2)20(27)21-5-6-24/h8-10,14,24H,3-7,11H2,1-2H3,(H,21,27)(H,22,26)
InChIKey UUNLFYKGFLUXDV-UHFFFAOYSA-N
Mol Weight 435.5 g/mol
Molecular Formula C20H25N3O6S
Exact Mass 435.146407 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6OiYL5A32e
Name 5-ethyl-N-[(1S)-1-{[(2-hydroxyethyl)amino]carbonyl}-3-(methylsulfanyl)propyl]-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H25N3O6S/c1-3-23-10-13(18(25)12-8-16-17(9-15(12)23)29-11-28-16)19(26)22-14(4-7-30-2)20(27)21-5-6-24/h8-10,14,24H,3-7,11H2,1-2H3,(H,21,27)(H,22,26)
InChIKey UUNLFYKGFLUXDV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_36029
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: E98496; SBI_ID: SBI-036033
Synonyms 5-ethyl-N-[1-{[(2-hydroxyethyl)amino]carbonyl}-3-(methylsulfanyl)propyl]-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Temperature 308 °C