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 | |
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Formal Charge | 0 |
Atom Count | 51 |
Chiral Atom Count | 0 |
Bond Count | 55 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 7-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 |
Formula | C20 H23 N5 O3 |
Molecular Weight | 381.428 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1cc2NC(=O)CN(c3nc(nc4CCCc34)N3CCOCC3)c2cc1 |
SMILES | CACTVS | 3.385 | COc1ccc2N(CC(=O)Nc2c1)c3nc(nc4CCCc34)N5CCOCC5 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)N5CCOCC5)CCC4 |
Canonical SMILES | CACTVS | 3.385 | COc1ccc2N(CC(=O)Nc2c1)c3nc(nc4CCCc34)N5CCOCC5 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)NC(=O)CN2c3c4c(nc(n3)N5CCOCC5)CCC4 |
InChI | InChI | 1.03 | 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) |
InChIKey | InChI | 1.03 | YWUHOQHUHVSXGB-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 166090160 |