
 CHEMBL512692

 59 62  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL512692

>  <PubChem CID>
44561559

>  <Formula>
C21H31N5O2

>  <Molecular Weight>
385.512000

>  <IUPAC Name>
N-ethyl-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCNC1=NC(=NC2=CC(=C(C=C21)OC)OC)N3CCC(CC3)N4CCCC4

>  <Isomeric SMILES>
CCNC1=NC(=NC2=CC(=C(C=C21)OC)OC)N3CCC(CC3)N4CCCC4

>  <InChI Std. ID>
InChI=1S/C21H31N5O2/c1-4-22-20-16-13-18(27-2)19(28-3)14-17(16)23-21(24-20)26-11-7-15(8-12-26)25-9-5-6-10-25/h13-15H,4-12H2,1-3H3,(H,22,23,24)

>  <InChI Key>
BJFWREVOCITGCH-UHFFFAOYSA-N

