C143H113F2N23O8 — CID 157295081
5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;1-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;5-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid (PubChem CID 157295081) has the molecular formula C143H113F2N23O8 and a molecular weight of 2319.63 g/mol. Its IUPAC name is 5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;1-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;5-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid.
| Compound Name | 5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;1-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;5-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid |
|---|---|
| PubChem CID | 157295081 |
| Molecular Formula | C143H113F2N23O8 |
| Molecular Weight | 2319.63 g/mol |
| Exact Mass | 2317.91 |
| IUPAC Name | 5-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;5-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;1-[3-[(6-fluoroquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;5-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid |
| SMILES | CC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1.CN(C)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)nc3)c2c1.O=C(Cc1cccc(Cc2ccncc2)c1)c1cccc(Nc2ccnc3ccc(F)cc23)c1.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc(F)cc23)cn1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1 |
| InChI | InChI=1S/C29H22FN3O.C29H26N6O.C29H23N5O2.C29H22N4O3.C27H20FN5O/c30-24-7-8-27-26(19-24)28(11-14-32-27)33-25-6-2-5-23(18-25)29(34)17-22-4-1-3-21(16-22)15-20-9-12-31-13-10-20;1-35(2)24-8-10-26-25(18-24)27(13-16-31-26)33-23-7-9-28(32-19-23)29(36)34-22-5-3-20(4-6-22)17-21-11-14-30-15-12-21;1-19(35)22-4-8-26-25(17-22)27(12-15-31-26)33-24-7-9-28(32-18-24)29(36)34-23-5-2-20(3-6-23)16-21-10-13-30-14-11-21;34-28(33-24-6-1-19(2-7-24)17-20-11-14-30-15-12-20)21-3-8-23(9-4-21)32-27-13-16-31-26-10-5-22(29(35)36)18-25(26)27;28-20-3-7-24-23(16-20)25(11-14-30-24)32-22-6-8-26(31-17-22)27(34)33-21-4-1-18(2-5-21)15-19-9-12-29-13-10-19/h1-14,16,18-19H,15,17H2,(H,32,33);3-16,18-19H,17H2,1-2H3,(H,31,33)(H,34,36);2-15,17-18H,16H2,1H3,(H,31,33)(H,34,36);1-16,18H,17H2,(H,31,32)(H,33,34)(H,35,36);1-14,16-17H,15H2,(H,30,32)(H,33,34) |
| InChIKey | BBGGZLZMRHNASD-UHFFFAOYSA-N |
| XLogP | 29.69 |
| TPSA | 418.80 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 176 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2319.63 |
| LogP ≤ 5 | 29.69 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 26 |