C220H190Cl2F6N42O25S — CID 159742932
N-[4-(3-chloroanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(3-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(4-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylsulfonylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethoxy)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethyl)anilino]quinolin-6-yl]acetamide (PubChem CID 159742932) has the molecular formula C220H190Cl2F6N42O25S and a molecular weight of 4039.17 g/mol. Its IUPAC name is N-[4-(3-chloroanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(3-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(4-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylsulfonylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethoxy)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethyl)anilino]quinolin-6-yl]acetamide.
| Compound Name | N-[4-(3-chloroanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(3-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(4-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylsulfonylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethoxy)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethyl)anilino]quinolin-6-yl]acetamide |
|---|---|
| PubChem CID | 159742932 |
| Molecular Formula | C220H190Cl2F6N42O25S |
| Molecular Weight | 4039.17 g/mol |
| Exact Mass | 4035.39 |
| IUPAC Name | N-[4-(3-chloroanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[4-(3-chloro-4-phenylmethoxyanilino)-3-cyano-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(3-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-4-(4-cyanoanilino)-7-ethoxyquinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methoxyanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-methylsulfonylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-(3-phenylanilino)quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethoxy)anilino]quinolin-6-yl]acetamide;N-[3-cyano-7-ethoxy-4-[3-(trifluoromethyl)anilino]quinolin-6-yl]acetamide |
| SMILES | CCOc1cc2ncc(C#N)c(Nc3ccc(C#N)cc3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccc4)c(Cl)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(-c4ccccc4)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(C#N)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(C(F)(F)F)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(C)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(Cl)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(OC(F)(F)F)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(OC)c3)c2cc1NC(C)=O.CCOc1cc2ncc(C#N)c(Nc3cccc(S(C)(=O)=O)c3)c2cc1NC(C)=O |
| InChI | InChI=1S/C27H23ClN4O3.C26H22N4O2.C21H17F3N4O3.C21H17F3N4O2.2C21H17N5O2.C21H20N4O4S.C21H20N4O3.C21H20N4O2.C20H17ClN4O2/c1-3-34-26-13-23-21(12-24(26)31-17(2)33)27(19(14-29)15-30-23)32-20-9-10-25(22(28)11-20)35-16-18-7-5-4-6-8-18;1-3-32-25-14-23-22(13-24(25)29-17(2)31)26(20(15-27)16-28-23)30-21-11-7-10-19(12-21)18-8-5-4-6-9-18;1-3-30-19-9-17-16(8-18(19)27-12(2)29)20(13(10-25)11-26-17)28-14-5-4-6-15(7-14)31-21(22,23)24;1-3-30-19-9-17-16(8-18(19)27-12(2)29)20(13(10-25)11-26-17)28-15-6-4-5-14(7-15)21(22,23)24;1-3-28-20-9-18-17(8-19(20)25-13(2)27)21(15(11-23)12-24-18)26-16-6-4-14(10-22)5-7-16;1-3-28-20-9-18-17(8-19(20)25-13(2)27)21(15(11-23)12-24-18)26-16-6-4-5-14(7-16)10-22;1-4-29-20-10-18-17(9-19(20)24-13(2)26)21(14(11-22)12-23-18)25-15-6-5-7-16(8-15)30(3,27)28;1-4-28-20-10-18-17(9-19(20)24-13(2)26)21(14(11-22)12-23-18)25-15-6-5-7-16(8-15)27-3;1-4-27-20-10-18-17(9-19(20)24-14(3)26)21(15(11-22)12-23-18)25-16-7-5-6-13(2)8-16;1-3-27-19-9-17-16(8-18(19)24-12(2)26)20(13(10-22)11-23-17)25-15-6-4-5-14(21)7-15/h4-13,15H,3,16H2,1-2H3,(H,30,32)(H,31,33);4-14,16H,3H2,1-2H3,(H,28,30)(H,29,31);4-9,11H,3H2,1-2H3,(H,26,28)(H,27,29);4-9,11H,3H2,1-2H3,(H,26,28)(H,27,29);2*4-9,12H,3H2,1-2H3,(H,24,26)(H,25,27);5-10,12H,4H2,1-3H3,(H,23,25)(H,24,26);5-10,12H,4H2,1-3H3,(H,23,25)(H,24,26);5-10,12H,4H2,1-3H3,(H,23,25)(H,24,26);4-9,11H,3H2,1-2H3,(H,23,25)(H,24,26) |
| InChIKey | NCRKYCYKASPKIG-UHFFFAOYSA-N |
| XLogP | 48.01 |
| TPSA | 979.81 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 57 |
| Rotatable Bonds | 57 |
| Heavy Atoms | 296 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4039.17 |
| LogP ≤ 5 | 48.01 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 57 |