C147H120N22O11S — CID 157395015
2-anilino-7-(benzylamino)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-1,7-diphenyl-1,6-naphthyridin-4-one;2-anilino-7-methoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide;2-anilino-7-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one (PubChem CID 157395015) has the molecular formula C147H120N22O11S and a molecular weight of 2402.79 g/mol. Its IUPAC name is 2-anilino-7-(benzylamino)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-1,7-diphenyl-1,6-naphthyridin-4-one;2-anilino-7-methoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide;2-anilino-7-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one.
| Compound Name | 2-anilino-7-(benzylamino)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-1,7-diphenyl-1,6-naphthyridin-4-one;2-anilino-7-methoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide;2-anilino-7-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one |
|---|---|
| PubChem CID | 157395015 |
| Molecular Formula | C147H120N22O11S |
| Molecular Weight | 2402.79 g/mol |
| Exact Mass | 2400.92 |
| IUPAC Name | 2-anilino-7-(benzylamino)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-1,7-diphenyl-1,6-naphthyridin-4-one;2-anilino-7-methoxy-1-phenyl-1,6-naphthyridin-4-one;2-anilino-7-(4-methylsulfonylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one;2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide;2-anilino-7-(phenoxymethyl)-1-phenyl-1,6-naphthyridin-4-one |
| SMILES | COc1cc2c(cn1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.CS(=O)(=O)N1CCN(c2cc3c(cn2)c(=O)cc(Nc2ccccc2)n3-c2ccccc2)CC1.NC(=O)c1cc2c(cn1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(-c3ccccc3)ncc12.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(COc3ccccc3)ncc12.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2cc(NCc3ccccc3)ncc12 |
| InChI | InChI=1S/C27H22N4O.C27H21N3O2.C26H19N3O.C25H25N5O3S.C21H16N4O2.C21H17N3O2/c32-25-17-27(30-21-12-6-2-7-13-21)31(22-14-8-3-9-15-22)24-16-26(29-19-23(24)25)28-18-20-10-4-1-5-11-20;31-26-17-27(29-20-10-4-1-5-11-20)30(22-12-6-2-7-13-22)25-16-21(28-18-24(25)26)19-32-23-14-8-3-9-15-23;30-25-17-26(28-20-12-6-2-7-13-20)29(21-14-8-3-9-15-21)24-16-23(27-18-22(24)25)19-10-4-1-5-11-19;1-34(32,33)29-14-12-28(13-15-29)24-16-22-21(18-26-24)23(31)17-25(27-19-8-4-2-5-9-19)30(22)20-10-6-3-7-11-20;22-21(27)17-11-18-16(13-23-17)19(26)12-20(24-14-7-3-1-4-8-14)25(18)15-9-5-2-6-10-15;1-26-21-12-18-17(14-22-21)19(25)13-20(23-15-8-4-2-5-9-15)24(18)16-10-6-3-7-11-16/h1-17,19,30H,18H2,(H,28,29);1-18,29H,19H2;1-18,28H;2-11,16-18,27H,12-15H2,1H3;1-13,24H,(H2,22,27);2-14,23H,1H3 |
| InChIKey | BMLSOJZNFXWJKR-UHFFFAOYSA-N |
| XLogP | 27.82 |
| TPSA | 395.72 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 181 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2402.79 |
| LogP ≤ 5 | 27.82 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 31 |