C222H222Cl5F7N24O29 — CID 161264336
4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chloro-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-chloro-4-(8-fluoroquinolin-4-yl)oxyphenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-chloro-4-[2-(trifluoromethyl)quinolin-4-yl]oxyphenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-chloro-4-[8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]propan-2-one;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chloro-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide;4-[[5-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-pyridinyl]oxy]-7-methoxyquinoline-6-carboxamide (PubChem CID 161264336) has the molecular formula C222H222Cl5F7N24O29 and a molecular weight of 4000.61 g/mol. Its IUPAC name is 4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chloro-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-chloro-4-(8-fluoroquinolin-4-yl)oxyphenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-chloro-4-[2-(trifluoromethyl)quinolin-4-yl]oxyphenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-chloro-4-[8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]propan-2-one;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chloro-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide;4-[[5-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-pyridinyl]oxy]-7-methoxyquinoline-6-carboxamide.
| Compound Name | 4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chloro-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-chloro-4-(8-fluoroquinolin-4-yl)oxyphenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-chloro-4-[2-(trifluoromethyl)quinolin-4-yl]oxyphenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-chloro-4-[8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]propan-2-one;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chloro-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide;4-[[5-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-pyridinyl]oxy]-7-methoxyquinoline-6-carboxamide |
|---|---|
| PubChem CID | 161264336 |
| Molecular Formula | C222H222Cl5F7N24O29 |
| Molecular Weight | 4000.61 g/mol |
| Exact Mass | 3995.50 |
| IUPAC Name | 4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-3-chloro-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-chloro-4-(8-fluoroquinolin-4-yl)oxyphenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-chloro-4-[2-(trifluoromethyl)quinolin-4-yl]oxyphenyl]propan-2-one;1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-chloro-4-[8-(trifluoromethyl)quinolin-4-yl]oxyphenyl]propan-2-one;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-3-chloro-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide;4-[4-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide;4-[[5-[3-(5-tert-butyl-2H-pyrrol-3-yl)-2-oxopropyl]-2-pyridinyl]oxy]-7-methoxyquinoline-6-carboxamide |
| SMILES | CC(C)(C)c1cc(CC(=O)Cc2ccc(Oc3cc(C(F)(F)F)nc4ccccc34)cc2Cl)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(Oc3ccnc4c(C(F)(F)F)cccc34)cc2Cl)no1.CC(C)(C)c1cc(CC(=O)Cc2ccc(Oc3ccnc4c(F)cccc34)cc2Cl)no1.COc1cc2nccc(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(C)c3C)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)c(Cl)c3C)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(CC(=O)CC4=CC(C(C)(C)C)=NC4)cn3)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C)c(C)c3C)c2cc1C(N)=O.COc1cc2nccc(Oc3ccc(CC(=O)Cc4cc(C(C)(C)C)nn4C)c(Cl)c3C)c2cc1C(N)=O |
| InChI | InChI=1S/C30H34N4O4.C30H33N3O4.C29H31ClN4O4.C29H30ClN3O4.C27H28N4O4.2C26H22ClF3N2O3.C25H22ClFN2O3/c1-17-18(2)25(38-26-10-11-32-24-16-27(37-7)23(29(31)36)15-22(24)26)9-8-19(17)12-21(35)13-20-14-28(30(3,4)5)33-34(20)6;1-17-18(2)25(8-7-20(17)13-21(34)11-19-12-28(33-16-19)30(3,4)5)37-26-9-10-32-24-15-27(36-6)23(29(31)35)14-22(24)26;1-16-23(38-24-9-10-32-22-15-25(37-6)21(28(31)36)14-20(22)24)8-7-17(27(16)30)11-19(35)12-18-13-26(29(2,3)4)33-34(18)5;1-16-23(37-24-8-9-32-22-14-25(36-5)21(28(31)35)13-20(22)24)7-6-18(27(16)30)12-19(34)10-17-11-26(33-15-17)29(2,3)4;1-27(2,3)24-11-17(15-30-24)10-18(32)9-16-5-6-25(31-14-16)35-22-7-8-29-21-13-23(34-4)20(26(28)33)12-19(21)22;1-25(2,3)23-13-16(32-35-23)12-17(33)11-15-7-8-18(14-21(15)27)34-22-9-10-31-24-19(22)5-4-6-20(24)26(28,29)30;1-25(2,3)24-12-16(32-35-24)11-17(33)10-15-8-9-18(13-20(15)27)34-22-14-23(26(28,29)30)31-21-7-5-4-6-19(21)22;1-25(2,3)23-13-16(29-32-23)12-17(30)11-15-7-8-18(14-20(15)26)31-22-9-10-28-24-19(22)5-4-6-21(24)27/h8-11,14-16H,12-13H2,1-7H3,(H2,31,36);7-10,12,14-15H,11,13,16H2,1-6H3,(H2,31,35);7-10,13-15H,11-12H2,1-6H3,(H2,31,36);6-9,11,13-14H,10,12,15H2,1-5H3,(H2,31,35);5-8,11-14H,9-10,15H2,1-4H3,(H2,28,33);4-10,13-14H,11-12H2,1-3H3;4-9,12-14H,10-11H2,1-3H3;4-10,13-14H,11-12H2,1-3H3 |
| InChIKey | VCYYZBYGNJNCAX-UHFFFAOYSA-N |
| XLogP | 47.92 |
| TPSA | 738.82 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 58 |
| Heavy Atoms | 287 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4000.61 |
| LogP ≤ 5 | 47.92 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 48 |