C150H145Cl7F4N32O24S8 — CID 173035698
6-tert-butylsulfonyl-8-chloro-4-[(5-chloro-3-pyridinyl)amino]quinoline-3-carboxamide;6-tert-butylsulfonyl-8-chloro-4-[(5-fluoro-3-pyridinyl)amino]quinoline-3-carboxamide;6-tert-butylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide;8-chloro-4-[(5-fluoro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide;4-[(5-chloro-3-pyridinyl)amino]-6-ethylsulfonyl-8-methylquinoline-3-carboxamide;4-[(5-chloro-3-pyridinyl)amino]-8-methyl-6-propan-2-ylsulfonylquinoline-3-carboxamide;4-[(5-chloro-3-pyridinyl)amino]-8-methyl-6-propylsulfonylquinoline-3-carboxamide;6-ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide (PubChem CID 173035698) has the molecular formula C150H145Cl7F4N32O24S8 and a molecular weight of 3360.71 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-8-chloro-4-[(5-chloro-3-pyridinyl)amino]quinoline-3-carboxamide;6-tert-butylsulfonyl-8-chloro-4-[(5-fluoro-3-pyridinyl)amino]quinoline-3-carboxamide;6-tert-butylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide;8-chloro-4-[(5-fluoro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide;4-[(5-chloro-3-pyridinyl)amino]-6-ethylsulfonyl-8-methylquinoline-3-carboxamide;4-[(5-chloro-3-pyridinyl)amino]-8-methyl-6-propan-2-ylsulfonylquinoline-3-carboxamide;4-[(5-chloro-3-pyridinyl)amino]-8-methyl-6-propylsulfonylquinoline-3-carboxamide;6-ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide.
| Compound Name | 6-tert-butylsulfonyl-8-chloro-4-[(5-chloro-3-pyridinyl)amino]quinoline-3-carboxamide;6-tert-butylsulfonyl-8-chloro-4-[(5-fluoro-3-pyridinyl)amino]quinoline-3-carboxamide;6-tert-butylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide;8-chloro-4-[(5-fluoro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide;4-[(5-chloro-3-pyridinyl)amino]-6-ethylsulfonyl-8-methylquinoline-3-carboxamide;4-[(5-chloro-3-pyridinyl)amino]-8-methyl-6-propan-2-ylsulfonylquinoline-3-carboxamide;4-[(5-chloro-3-pyridinyl)amino]-8-methyl-6-propylsulfonylquinoline-3-carboxamide;6-ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide |
|---|---|
| PubChem CID | 173035698 |
| Molecular Formula | C150H145Cl7F4N32O24S8 |
| Molecular Weight | 3360.71 g/mol |
| Exact Mass | 3354.66 |
| IUPAC Name | 6-tert-butylsulfonyl-8-chloro-4-[(5-chloro-3-pyridinyl)amino]quinoline-3-carboxamide;6-tert-butylsulfonyl-8-chloro-4-[(5-fluoro-3-pyridinyl)amino]quinoline-3-carboxamide;6-tert-butylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide;8-chloro-4-[(5-fluoro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide;4-[(5-chloro-3-pyridinyl)amino]-6-ethylsulfonyl-8-methylquinoline-3-carboxamide;4-[(5-chloro-3-pyridinyl)amino]-8-methyl-6-propan-2-ylsulfonylquinoline-3-carboxamide;4-[(5-chloro-3-pyridinyl)amino]-8-methyl-6-propylsulfonylquinoline-3-carboxamide;6-ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide |
| SMILES | CC(C)(C)S(=O)(=O)c1cc(Cl)c2ncc(C(N)=O)c(Nc3cncc(Cl)c3)c2c1.CC(C)(C)S(=O)(=O)c1cc(Cl)c2ncc(C(N)=O)c(Nc3cncc(F)c3)c2c1.CC(C)S(=O)(=O)c1cc(Cl)c2ncc(C(N)=O)c(Nc3cncc(F)c3)c2c1.CCCS(=O)(=O)c1cc(C)c2ncc(C(N)=O)c(Nc3cncc(Cl)c3)c2c1.CCS(=O)(=O)c1cc(C)c2ncc(C(N)=O)c(Nc3cncc(Cl)c3)c2c1.CCS(=O)(=O)c1cc(C)c2ncc(C(N)=O)c(Nc3cncc(F)c3)c2c1.Cc1cc(S(=O)(=O)C(C)(C)C)cc2c(Nc3cncc(F)c3)c(C(N)=O)cnc12.Cc1cc(S(=O)(=O)C(C)C)cc2c(Nc3cncc(Cl)c3)c(C(N)=O)cnc12 |
| InChI | InChI=1S/C20H21FN4O3S.C19H18Cl2N4O3S.C19H18ClFN4O3S.2C19H19ClN4O3S.C18H16ClFN4O3S.C18H17ClN4O3S.C18H17FN4O3S/c1-11-5-14(29(27,28)20(2,3)4)7-15-17(11)24-10-16(19(22)26)18(15)25-13-6-12(21)8-23-9-13;1-19(2,3)29(27,28)12-5-13-16(25-11-4-10(20)7-23-8-11)14(18(22)26)9-24-17(13)15(21)6-12;1-19(2,3)29(27,28)12-5-13-16(25-11-4-10(21)7-23-8-11)14(18(22)26)9-24-17(13)15(20)6-12;1-10(2)28(26,27)14-4-11(3)17-15(6-14)18(16(9-23-17)19(21)25)24-13-5-12(20)7-22-8-13;1-3-4-28(26,27)14-5-11(2)17-15(7-14)18(16(10-23-17)19(21)25)24-13-6-12(20)8-22-9-13;1-9(2)28(26,27)12-4-13-16(24-11-3-10(20)6-22-7-11)14(18(21)25)8-23-17(13)15(19)5-12;2*1-3-27(25,26)13-4-10(2)16-14(6-13)17(15(9-22-16)18(20)24)23-12-5-11(19)7-21-8-12/h5-10H,1-4H3,(H2,22,26)(H,24,25);2*4-9H,1-3H3,(H2,22,26)(H,24,25);4-10H,1-3H3,(H2,21,25)(H,23,24);5-10H,3-4H2,1-2H3,(H2,21,25)(H,23,24);3-9H,1-2H3,(H2,21,25)(H,23,24);2*4-9H,3H2,1-2H3,(H2,20,24)(H,22,23) |
| InChIKey | NWPFDWDGNQXPNB-UHFFFAOYSA-N |
| XLogP | 28.30 |
| TPSA | 920.32 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 225 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3360.71 |
| LogP ≤ 5 | 28.30 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 48 |