2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(1H-imidazol-2-ylmethyl)pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide;1-[2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-3-pyridinyl]propan-1-one;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(3H-pyrrol-2-yl)pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide;methane
C198H189N33O28S2 — CID 159536139
Data last refreshed: (MolForge compound catalog, from PubChem)
About 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(1H-imidazol-2-ylmethyl)pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide;1-[2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-3-pyridinyl]propan-1-one;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(3H-pyrrol-2-yl)pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide;methane
2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(1H-imidazol-2-ylmethyl)pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide;1-[2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-3-pyridinyl]propan-1-one;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(3H-pyrrol-2-yl)pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide;methane (PubChem CID 159536139) has the molecular formula C198H189N33O28S2 and a molecular weight of 3543.03 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(1H-imidazol-2-ylmethyl)pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide;1-[2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-3-pyridinyl]propan-1-one;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(3H-pyrrol-2-yl)pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide;methane.
Molecular Properties
| Compound Name | 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(1H-imidazol-2-ylmethyl)pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide;1-[2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-3-pyridinyl]propan-1-one;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(3H-pyrrol-2-yl)pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide;methane |
|---|---|
| PubChem CID | 159536139 |
| Molecular Formula | C198H189N33O28S2 |
| Molecular Weight | 3543.03 g/mol |
| Exact Mass | 3540.38 |
| IUPAC Name | 2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(1H-imidazol-2-ylmethyl)pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[(5-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-phenylpyridine-3-carboxamide;1-[2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-3-pyridinyl]propan-1-one;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(3H-pyrrol-2-yl)pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide;2-[4-(6,7-dimethoxyquinolin-4-yl)oxyanilino]-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide;methane |
| SMILES | C.C.C.C.C.CCC(=O)c1cccnc1Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NC(C)c4nccs4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NC4=NC=CC4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NCc4ccc(C)cn4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NCc4ncc[nH]4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)NCc4nccs4)cc3)c2cc1OC.COc1cc2nccc(Oc3ccc(Nc4ncccc4C(=O)Nc4ccccc4)cc3)c2cc1OC |
| InChI | InChI=1S/C30H27N5O4.C29H24N4O4.C28H25N5O4S.C27H24N6O4.C27H23N5O4S.C27H23N5O4.C25H23N3O4.5CH4/c1-19-6-7-21(33-17-19)18-34-30(36)23-5-4-13-32-29(23)35-20-8-10-22(11-9-20)39-26-12-14-31-25-16-28(38-3)27(37-2)15-24(25)26;1-35-26-17-23-24(18-27(26)36-2)30-16-14-25(23)37-21-12-10-20(11-13-21)32-28-22(9-6-15-31-28)29(34)33-19-7-4-3-5-8-19;1-17(28-31-13-14-38-28)32-27(34)20-5-4-11-30-26(20)33-18-6-8-19(9-7-18)37-23-10-12-29-22-16-25(36-3)24(35-2)15-21(22)23;1-35-23-14-20-21(15-24(23)36-2)28-11-9-22(20)37-18-7-5-17(6-8-18)33-26-19(4-3-10-31-26)27(34)32-16-25-29-12-13-30-25;1-34-23-14-20-21(15-24(23)35-2)28-11-9-22(20)36-18-7-5-17(6-8-18)32-26-19(4-3-10-30-26)27(33)31-16-25-29-12-13-37-25;1-34-23-15-20-21(16-24(23)35-2)28-14-11-22(20)36-18-9-7-17(8-10-18)31-26-19(5-3-13-30-26)27(33)32-25-6-4-12-29-25;1-4-21(29)18-6-5-12-27-25(18)28-16-7-9-17(10-8-16)32-22-11-13-26-20-15-24(31-3)23(30-2)14-19(20)22;;;;;/h4-17H,18H2,1-3H3,(H,32,35)(H,34,36);3-18H,1-2H3,(H,31,32)(H,33,34);4-17H,1-3H3,(H,30,33)(H,32,34);3-15H,16H2,1-2H3,(H,29,30)(H,31,33)(H,32,34);3-15H,16H2,1-2H3,(H,30,32)(H,31,33);3-5,7-16H,6H2,1-2H3,(H,30,31)(H,29,32,33);5-15H,4H2,1-3H3,(H,27,28);5*1H4 |
| InChIKey | MDPOXGUMSYQHGO-UHFFFAOYSA-N |
| XLogP | 42.97 |
| TPSA | 729.88 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 56 |
| Rotatable Bonds | 59 |
| Heavy Atoms | 261 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3543.03 |
| LogP ≤ 5 | 42.97 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 56 |
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