
 MLS000086795

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M  END

>  <Chemical Name>
MLS000086795

>  <PubChem CID>
3235755

>  <Formula>
C24H28ClN5O4

>  <Molecular Weight>
485.969000

>  <IUPAC Name>
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methoxyethyl)-2,4-dioxo-1H-quinazoline-7-carboxamide

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCN3CCN(CC3)C4=CC(=CC=C4)Cl)NC1=O

>  <Isomeric SMILES>
COCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCN3CCN(CC3)C4=CC(=CC=C4)Cl)NC1=O

>  <InChI Std. ID>
InChI=1S/C24H28ClN5O4/c1-34-14-13-30-23(32)20-6-5-17(15-21(20)27-24(30)33)22(31)26-7-8-28-9-11-29(12-10-28)19-4-2-3-18(25)16-19/h2-6,15-16H,7-14H2,1H3,(H,26,31)(H,27,33)

>  <InChI Key>
ACVZMBHNSYAYKV-UHFFFAOYSA-N

