C166H170FN19O8 — CID 158224317
4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one (PubChem CID 158224317) has the molecular formula C166H170FN19O8 and a molecular weight of 2578.31 g/mol. Its IUPAC name is 4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one.
| Compound Name | 4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one |
|---|---|
| PubChem CID | 158224317 |
| Molecular Formula | C166H170FN19O8 |
| Molecular Weight | 2578.31 g/mol |
| Exact Mass | 2576.35 |
| IUPAC Name | 4-anilino-N-tert-butyl-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinoline-3-carboxamide;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-fluoroquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-(hydroxymethyl)quinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)-7-methylquinolin-3-yl]propan-1-one;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]ethanone;1-[4-anilino-6-(6-butyl-3-pyridinyl)quinolin-3-yl]propan-1-one |
| SMILES | CCCCc1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)CC)cnc3cc2C)cn1.CCCCc1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)CC)cnc3cc2CO)cn1.CCCCc1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)CC)cnc3cc2F)cn1.CCCCc1ccc(-c2cc3c(Nc4ccccc4)c(C(=O)NC(C)(C)C)cnc3cc2CO)cn1.CCCCc1ccc(-c2ccc3ncc(C(=O)CC)c(Nc4ccccc4)c3c2)cn1.CCCCc1ccc(-c2ccc3ncc(C(C)=O)c(Nc4ccccc4)c3c2)cn1 |
| InChI | InChI=1S/C30H34N4O2.C28H29N3O2.C28H29N3O.C27H26FN3O.C27H27N3O.C26H25N3O/c1-5-6-10-22-14-13-20(17-31-22)24-16-25-27(15-21(24)19-35)32-18-26(29(36)34-30(2,3)4)28(25)33-23-11-8-7-9-12-23;1-3-5-9-21-13-12-19(16-29-21)23-15-24-26(14-20(23)18-32)30-17-25(27(33)4-2)28(24)31-22-10-7-6-8-11-22;1-4-6-10-21-14-13-20(17-29-21)23-16-24-26(15-19(23)3)30-18-25(27(32)5-2)28(24)31-22-11-8-7-9-12-22;1-3-5-9-19-13-12-18(16-29-19)21-14-22-25(15-24(21)28)30-17-23(26(32)4-2)27(22)31-20-10-7-6-8-11-20;1-3-5-9-21-14-12-20(17-28-21)19-13-15-25-23(16-19)27(24(18-29-25)26(31)4-2)30-22-10-7-6-8-11-22;1-3-4-8-21-13-11-20(16-27-21)19-12-14-25-23(15-19)26(24(17-28-25)18(2)30)29-22-9-6-5-7-10-22/h7-9,11-18,35H,5-6,10,19H2,1-4H3,(H,32,33)(H,34,36);6-8,10-17,32H,3-5,9,18H2,1-2H3,(H,30,31);7-9,11-18H,4-6,10H2,1-3H3,(H,30,31);6-8,10-17H,3-5,9H2,1-2H3,(H,30,31);6-8,10-18H,3-5,9H2,1-2H3,(H,29,30);5-7,9-17H,3-4,8H2,1-2H3,(H,28,29) |
| InChIKey | GDPQWGJIWZSEKM-UHFFFAOYSA-N |
| XLogP | 40.83 |
| TPSA | 381.77 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 194 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2578.31 |
| LogP ≤ 5 | 40.83 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 26 |