JUL

7-methoxy-4-[2-(morpholin-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one

Created: 2022-02-02
Last modified:  2023-04-12

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Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count0
Bond Count55
Aromatic Bond Count12
2D diagram of JUL

Chemical Component Summary

Name7-methoxy-4-[2-(morpholin-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydroquinoxalin-2(1H)-one
Systematic Name (OpenEye OEToolkits)7-methoxy-4-(2-morpholin-4-yl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
FormulaC20 H23 N5 O3
Molecular Weight381.428
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01COc1cc2NC(=O)CN(c3nc(nc4CCCc34)N3CCOCC3)c2cc1
SMILESCACTVS3.385COc1ccc2N(CC(=O)Nc2c1)c3nc(nc4CCCc34)N5CCOCC5
SMILESOpenEye OEToolkits2.0.7COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)N5CCOCC5)CCC4
Canonical SMILESCACTVS3.385 COc1ccc2N(CC(=O)Nc2c1)c3nc(nc4CCCc34)N5CCOCC5
Canonical SMILESOpenEye OEToolkits2.0.7 COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)N5CCOCC5)CCC4
InChIInChI1.03 InChI=1S/C20H23N5O3/c1-27-13-5-6-17-16(11-13)21-18(26)12-25(17)19-14-3-2-4-15(14)22-20(23-19)24-7-9-28-10-8-24/h5-6,11H,2-4,7-10,12H2,1H3,(H,21,26)
InChIKeyInChI1.03 YWUHOQHUHVSXGB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 166090160