C91H62ClF7N18S2 — CID 167620913
4-(3-chlorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;6-[4-(3,4-difluorophenyl)-2-methyl-1H-imidazol-5-yl]quinoxaline;4-(4-fluoro-3-methylphenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;6-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]quinoxaline;6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoxaline (PubChem CID 167620913) has the molecular formula C91H62ClF7N18S2 and a molecular weight of 1640.20 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;6-[4-(3,4-difluorophenyl)-2-methyl-1H-imidazol-5-yl]quinoxaline;4-(4-fluoro-3-methylphenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;6-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]quinoxaline;6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoxaline.
| Compound Name | 4-(3-chlorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;6-[4-(3,4-difluorophenyl)-2-methyl-1H-imidazol-5-yl]quinoxaline;4-(4-fluoro-3-methylphenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;6-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]quinoxaline;6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoxaline |
|---|---|
| PubChem CID | 167620913 |
| Molecular Formula | C91H62ClF7N18S2 |
| Molecular Weight | 1640.20 g/mol |
| Exact Mass | 1638.44 |
| IUPAC Name | 4-(3-chlorophenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;6-[4-(3,4-difluorophenyl)-2-methyl-1H-imidazol-5-yl]quinoxaline;4-(4-fluoro-3-methylphenyl)-2-methyl-5-quinoxalin-6-yl-1,3-thiazole;6-[5-(4-fluorophenyl)-2-methyl-1H-imidazol-4-yl]quinoxaline;6-[2-methyl-4-(3,4,5-trifluorophenyl)-1H-imidazol-5-yl]quinoxaline |
| SMILES | Cc1nc(-c2cc(F)c(F)c(F)c2)c(-c2ccc3nccnc3c2)[nH]1.Cc1nc(-c2ccc(F)c(C)c2)c(-c2ccc3nccnc3c2)s1.Cc1nc(-c2ccc(F)c(F)c2)c(-c2ccc3nccnc3c2)[nH]1.Cc1nc(-c2ccc3nccnc3c2)c(-c2ccc(F)cc2)[nH]1.Cc1nc(-c2cccc(Cl)c2)c(-c2ccc3nccnc3c2)s1 |
| InChI | InChI=1S/C19H14FN3S.C18H12ClN3S.C18H11F3N4.C18H12F2N4.C18H13FN4/c1-11-9-13(3-5-15(11)20)18-19(24-12(2)23-18)14-4-6-16-17(10-14)22-8-7-21-16;1-11-22-17(12-3-2-4-14(19)9-12)18(23-11)13-5-6-15-16(10-13)21-8-7-20-15;1-9-24-17(10-2-3-14-15(8-10)23-5-4-22-14)18(25-9)11-6-12(19)16(21)13(20)7-11;1-10-23-17(11-2-4-13(19)14(20)8-11)18(24-10)12-3-5-15-16(9-12)22-7-6-21-15;1-11-22-17(12-2-5-14(19)6-3-12)18(23-11)13-4-7-15-16(10-13)21-9-8-20-15/h3-10H,1-2H3;2-10H,1H3;2-8H,1H3,(H,24,25);2-9H,1H3,(H,23,24);2-10H,1H3,(H,22,23) |
| InChIKey | MKQVZHLUDPADLK-UHFFFAOYSA-N |
| XLogP | 23.38 |
| TPSA | 240.72 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 119 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1640.20 |
| LogP ≤ 5 | 23.38 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'} |
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