C91H74N14O19S — CID 160617136
3-furo[3,2-f][1]benzofuran-3-ylpiperidine-2,6-dione;3-furo[3,2-g]quinolin-3-ylpiperidine-2,6-dione;3-(2-methylfuro[2,3-f][1,3]benzothiazol-7-yl)piperidine-2,6-dione;3-(1-methylfuro[2,3-f]indazol-7-yl)piperidine-2,6-dione;3-(2-methylfuro[2,3-f]indazol-7-yl)piperidine-2,6-dione;3-(2-methylfuro[3,2-f]indazol-5-yl)piperidine-2,6-dione (PubChem CID 160617136) has the molecular formula C91H74N14O19S and a molecular weight of 1699.74 g/mol. Its IUPAC name is 3-furo[3,2-f][1]benzofuran-3-ylpiperidine-2,6-dione;3-furo[3,2-g]quinolin-3-ylpiperidine-2,6-dione;3-(2-methylfuro[2,3-f][1,3]benzothiazol-7-yl)piperidine-2,6-dione;3-(1-methylfuro[2,3-f]indazol-7-yl)piperidine-2,6-dione;3-(2-methylfuro[2,3-f]indazol-7-yl)piperidine-2,6-dione;3-(2-methylfuro[3,2-f]indazol-5-yl)piperidine-2,6-dione.
| Compound Name | 3-furo[3,2-f][1]benzofuran-3-ylpiperidine-2,6-dione;3-furo[3,2-g]quinolin-3-ylpiperidine-2,6-dione;3-(2-methylfuro[2,3-f][1,3]benzothiazol-7-yl)piperidine-2,6-dione;3-(1-methylfuro[2,3-f]indazol-7-yl)piperidine-2,6-dione;3-(2-methylfuro[2,3-f]indazol-7-yl)piperidine-2,6-dione;3-(2-methylfuro[3,2-f]indazol-5-yl)piperidine-2,6-dione |
|---|---|
| PubChem CID | 160617136 |
| Molecular Formula | C91H74N14O19S |
| Molecular Weight | 1699.74 g/mol |
| Exact Mass | 1698.50 |
| IUPAC Name | 3-furo[3,2-f][1]benzofuran-3-ylpiperidine-2,6-dione;3-furo[3,2-g]quinolin-3-ylpiperidine-2,6-dione;3-(2-methylfuro[2,3-f][1,3]benzothiazol-7-yl)piperidine-2,6-dione;3-(1-methylfuro[2,3-f]indazol-7-yl)piperidine-2,6-dione;3-(2-methylfuro[2,3-f]indazol-7-yl)piperidine-2,6-dione;3-(2-methylfuro[3,2-f]indazol-5-yl)piperidine-2,6-dione |
| SMILES | Cc1nc2cc3occ(C4CCC(=O)NC4=O)c3cc2s1.Cn1cc2cc3c(C4CCC(=O)NC4=O)coc3cc2n1.Cn1cc2cc3occ(C4CCC(=O)NC4=O)c3cc2n1.Cn1ncc2cc3occ(C4CCC(=O)NC4=O)c3cc21.O=C1CCC(c2coc3cc4ncccc4cc23)C(=O)N1.O=C1CCC(c2coc3cc4occc4cc23)C(=O)N1 |
| InChI | InChI=1S/C16H12N2O3.3C15H13N3O3.C15H12N2O3S.C15H11NO4/c19-15-4-3-10(16(20)18-15)12-8-21-14-7-13-9(6-11(12)14)2-1-5-17-13;1-18-6-8-4-13-10(5-12(8)17-18)11(7-21-13)9-2-3-14(19)16-15(9)20;1-18-12-5-10-11(9-2-3-14(19)17-15(9)20)7-21-13(10)4-8(12)6-16-18;1-18-6-8-4-10-11(7-21-13(10)5-12(8)17-18)9-2-3-14(19)16-15(9)20;1-7-16-11-5-12-9(4-13(11)21-7)10(6-20-12)8-2-3-14(18)17-15(8)19;17-14-2-1-9(15(18)16-14)11-7-20-13-6-12-8(3-4-19-12)5-10(11)13/h1-2,5-8,10H,3-4H2,(H,18,19,20);4-7,9H,2-3H2,1H3,(H,16,19,20);4-7,9H,2-3H2,1H3,(H,17,19,20);4-7,9H,2-3H2,1H3,(H,16,19,20);4-6,8H,2-3H2,1H3,(H,17,18,19);3-7,9H,1-2H2,(H,16,17,18) |
| InChIKey | RGFWMFZFHHPIEQ-UHFFFAOYSA-N |
| XLogP | 13.59 |
| TPSA | 448.24 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 125 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1699.74 |
| LogP ≤ 5 | 13.59 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
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