C181H143N21O16 — CID 158459353
1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;methyl 4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid (PubChem CID 158459353) has the molecular formula C181H143N21O16 and a molecular weight of 2868.27 g/mol. Its IUPAC name is 1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;methyl 4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid.
| Compound Name | 1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;methyl 4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid |
|---|---|
| PubChem CID | 158459353 |
| Molecular Formula | C181H143N21O16 |
| Molecular Weight | 2868.27 g/mol |
| Exact Mass | 2866.10 |
| IUPAC Name | 1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;methyl 4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid |
| SMILES | CC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1.CC(=O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccncc5)c4)c3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1.COC(=O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccncc5)c4)c3)c2c1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1.O=C(O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccncc5)c4)c3)c2c1 |
| InChI | InChI=1S/C31H25N3O3.C31H25N3O2.C30H24N4O3.C30H24N4O2.C30H23N3O3.C29H22N4O3/c1-37-31(36)25-8-9-28-27(20-25)29(12-15-33-28)34-26-7-3-6-24(19-26)30(35)18-23-5-2-4-22(17-23)16-21-10-13-32-14-11-21;1-21(35)25-8-9-29-28(20-25)30(12-15-33-29)34-27-7-3-6-26(19-27)31(36)18-24-5-2-4-23(17-24)16-22-10-13-32-14-11-22;1-37-30(36)23-6-11-27-26(19-23)28(14-17-32-27)33-24-9-4-22(5-10-24)29(35)34-25-7-2-20(3-8-25)18-21-12-15-31-16-13-21;1-20(35)24-6-11-28-27(19-24)29(14-17-32-28)33-25-9-4-23(5-10-25)30(36)34-26-7-2-21(3-8-26)18-22-12-15-31-16-13-22;34-29(17-22-4-1-3-21(16-22)15-20-9-12-31-13-10-20)23-5-2-6-25(18-23)33-28-11-14-32-27-8-7-24(30(35)36)19-26(27)28;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/h2-15,17,19-20H,16,18H2,1H3,(H,33,34);2-15,17,19-20H,16,18H2,1H3,(H,33,34);2-17,19H,18H2,1H3,(H,32,33)(H,34,35);2-17,19H,18H2,1H3,(H,32,33)(H,34,36);1-14,16,18-19H,15,17H2,(H,32,33)(H,35,36);1-16,18H,17H2,(H,31,32)(H,33,34)(H,35,36) |
| InChIKey | HEYZREUECOXQDZ-UHFFFAOYSA-N |
| XLogP | 37.19 |
| TPSA | 526.71 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 218 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2868.27 |
| LogP ≤ 5 | 37.19 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 32 |