2-(1,3-benzodioxol-5-yl)-4-{[4-(2-pyrimidinyl)-1-piperazinyl]carbonyl}quinoline

SpectraBase Compound ID	4otg4GSuGUr
InChI	InChI=1S/C25H21N5O3/c31-24(29-10-12-30(13-11-29)25-26-8-3-9-27-25)19-15-21(28-20-5-2-1-4-18(19)20)17-6-7-22-23(14-17)33-16-32-22/h1-9,14-15H,10-13,16H2
InChIKey	XXUFXCOPTJPFIX-UHFFFAOYSA-N Google Search
Mol Weight	439.48 g/mol
Molecular Formula	C25H21N5O3
Exact Mass	439.16444 g/mol

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SpectraBase Spectrum ID	I4fHMRWDAxe
Name	2-(1,3-benzodioxol-5-yl)-4-{[4-(2-pyrimidinyl)-1-piperazinyl]carbonyl}quinoline
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/C25H21N5O3/c31-24(29-10-12-30(13-11-29)25-26-8-3-9-27-25)19-15-21(28-20-5-2-1-4-18(19)20)17-6-7-22-23(14-17)33-16-32-22/h1-9,14-15H,10-13,16H2
InChIKey	XXUFXCOPTJPFIX-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_2297
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: UZI/9328842; Labnumber: AM-AC/0190569; UZI_ID: UZI-002299
Temperature	318 °C