
 MLS000118160

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M  END

>  <Chemical Name>
MLS000118160

>  <PubChem CID>
5307507

>  <Formula>
C20H18N4O3

>  <Molecular Weight>
362.389000

>  <IUPAC Name>
1-(3-amino-7-methoxypyrazolo[3,4-b]quinolin-1-yl)-2-(2-methoxyphenyl)ethanone

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC2=NC3=C(C=C2C=C1)C(=NN3C(=O)CC4=CC=CC=C4OC)N

>  <Isomeric SMILES>
COC1=CC2=NC3=C(C=C2C=C1)C(=NN3C(=O)CC4=CC=CC=C4OC)N

>  <InChI Std. ID>
InChI=1S/C20H18N4O3/c1-26-14-8-7-12-9-15-19(21)23-24(20(15)22-16(12)11-14)18(25)10-13-5-3-4-6-17(13)27-2/h3-9,11H,10H2,1-2H3,(H2,21,23)

>  <InChI Key>
AFARTCQWZVTVJO-UHFFFAOYSA-N

