C159H146Cl4F8N22O15 — CID 159654991
N-(5-chloro-3-fluoro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-chloro-2-methylphenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-chlorophenyl)-2-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-chlorophenyl)-2-[4-(7-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-ethylphenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide (PubChem CID 159654991) has the molecular formula C159H146Cl4F8N22O15 and a molecular weight of 2898.85 g/mol. Its IUPAC name is N-(5-chloro-3-fluoro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-chloro-2-methylphenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-chlorophenyl)-2-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-chlorophenyl)-2-[4-(7-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-ethylphenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide.
| Compound Name | N-(5-chloro-3-fluoro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-chloro-2-methylphenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-chlorophenyl)-2-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-chlorophenyl)-2-[4-(7-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-ethylphenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide |
|---|---|
| PubChem CID | 159654991 |
| Molecular Formula | C159H146Cl4F8N22O15 |
| Molecular Weight | 2898.85 g/mol |
| Exact Mass | 2895.00 |
| IUPAC Name | N-(5-chloro-3-fluoro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-chloro-2-methylphenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-chlorophenyl)-2-[4-(6-fluoro-8-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-chlorophenyl)-2-[4-(7-methylquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-ethylphenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;N-(4-fluorophenyl)-2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-2-oxoacetamide;2-[4-(6-fluoroquinolin-4-yl)piperidin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide |
| SMILES | CCc1ccc(NC(=O)C(=O)N2CCC(c3ccnc4ccc(F)cc34)CC2)cc1.COc1ccc(NC(=O)C(=O)N2CCC(c3ccnc4ccc(F)cc34)CC2)cc1.Cc1cc(Cl)ccc1NC(=O)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1.Cc1cc(F)cc2c(C3CCN(C(=O)C(=O)Nc4ccc(Cl)cc4)CC3)ccnc12.Cc1ccc2c(C3CCN(C(=O)C(=O)Nc4ccc(Cl)cc4)CC3)ccnc2c1.O=C(Nc1ccc(F)cc1)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1.O=C(Nc1ncc(Cl)cc1F)C(=O)N1CCC(c2ccnc3ccc(F)cc23)CC1 |
| InChI | InChI=1S/C24H24FN3O2.2C23H21ClFN3O2.C23H22ClN3O2.C23H22FN3O3.C22H19F2N3O2.C21H17ClF2N4O2/c1-2-16-3-6-19(7-4-16)27-23(29)24(30)28-13-10-17(11-14-28)20-9-12-26-22-8-5-18(25)15-21(20)22;1-14-12-16(24)2-4-20(14)27-22(29)23(30)28-10-7-15(8-11-28)18-6-9-26-21-5-3-17(25)13-19(18)21;1-14-12-17(25)13-20-19(6-9-26-21(14)20)15-7-10-28(11-8-15)23(30)22(29)27-18-4-2-16(24)3-5-18;1-15-2-7-20-19(8-11-25-21(20)14-15)16-9-12-27(13-10-16)23(29)22(28)26-18-5-3-17(24)4-6-18;1-30-18-5-3-17(4-6-18)26-22(28)23(29)27-12-9-15(10-13-27)19-8-11-25-21-7-2-16(24)14-20(19)21;23-15-1-4-17(5-2-15)26-21(28)22(29)27-11-8-14(9-12-27)18-7-10-25-20-6-3-16(24)13-19(18)20;22-13-9-17(24)19(26-11-13)27-20(29)21(30)28-7-4-12(5-8-28)15-3-6-25-18-2-1-14(23)10-16(15)18/h3-9,12,15,17H,2,10-11,13-14H2,1H3,(H,27,29);2*2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,27,29);2-8,11,14,16H,9-10,12-13H2,1H3,(H,26,28);2-8,11,14-15H,9-10,12-13H2,1H3,(H,26,28);1-7,10,13-14H,8-9,11-12H2,(H,26,28);1-3,6,9-12H,4-5,7-8H2,(H,26,27,29) |
| InChIKey | MSBFGVZZVIYCEO-UHFFFAOYSA-N |
| XLogP | 29.67 |
| TPSA | 458.22 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 208 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2898.85 |
| LogP ≤ 5 | 29.67 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'diketo_group', 'substructure': 'N/A'} |
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