2-[Benzoyl-(4-chloro-phenyl)-amino]-3-propyl-3,4-dihydro-quinazoline-4-carboxylic acid butylamide

SpectraBase Compound ID	H3FJEVSSxiL
InChI	InChI=1S/C29H31ClN4O2/c1-3-5-19-31-27(35)26-24-13-9-10-14-25(24)32-29(33(26)20-4-2)34(23-17-15-22(30)16-18-23)28(36)21-11-7-6-8-12-21/h6-18,26H,3-5,19-20H2,1-2H3,(H,31,35)
InChIKey	LOZXHURPRPOKNS-UHFFFAOYSA-N Google Search
Mol Weight	503.05 g/mol
Molecular Formula	C29H31ClN4O2
Exact Mass	502.213554 g/mol

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SpectraBase Spectrum ID	6lzDdhXIleB
Name	2-[Benzoyl-(4-chloro-phenyl)-amino]-3-propyl-3,4-dihydro-quinazoline-4-carboxylic acid butylamide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	502.213553952 u
Formula	C29H31ClN4O2
InChI	InChI=1S/C29H31ClN4O2/c1-3-5-19-31-27(35)26-24-13-9-10-14-25(24)32-29(33(26)20-4-2)34(23-17-15-22(30)16-18-23)28(36)21-11-7-6-8-12-21/h6-18,26H,3-5,19-20H2,1-2H3,(H,31,35)
InChIKey	LOZXHURPRPOKNS-UHFFFAOYSA-N
Molecular Weight	503.046 g/mol
SMILES	C=1(N(C(C(=O)NCCCC)C2=C(N1)C=CC=C2)CCC)N(C(=O)C1=CC=CC=C1)C=1C=CC(=CC1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR)	0.874815