C159H184FN3O12 — CID 157252518
(1S)-1-[1-[3-(azetidin-1-yl)phenyl]-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[1-(4,4-dimethylcyclohexen-1-yl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[1-(7-fluoro-2-methylquinolin-8-yl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[3-methyl-1-(4-methylcyclohexen-1-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-quinolin-3-ylnaphthalen-2-yl)propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-spiro[2.5]oct-6-en-6-ylnaphthalen-2-yl)propan-2-one (PubChem CID 157252518) has the molecular formula C159H184FN3O12 and a molecular weight of 2348.23 g/mol. Its IUPAC name is (1S)-1-[1-[3-(azetidin-1-yl)phenyl]-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[1-(4,4-dimethylcyclohexen-1-yl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[1-(7-fluoro-2-methylquinolin-8-yl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[3-methyl-1-(4-methylcyclohexen-1-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-quinolin-3-ylnaphthalen-2-yl)propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-spiro[2.5]oct-6-en-6-ylnaphthalen-2-yl)propan-2-one.
| Compound Name | (1S)-1-[1-[3-(azetidin-1-yl)phenyl]-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[1-(4,4-dimethylcyclohexen-1-yl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[1-(7-fluoro-2-methylquinolin-8-yl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[3-methyl-1-(4-methylcyclohexen-1-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-quinolin-3-ylnaphthalen-2-yl)propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-spiro[2.5]oct-6-en-6-ylnaphthalen-2-yl)propan-2-one |
|---|---|
| PubChem CID | 157252518 |
| Molecular Formula | C159H184FN3O12 |
| Molecular Weight | 2348.23 g/mol |
| Exact Mass | 2346.39 |
| IUPAC Name | (1S)-1-[1-[3-(azetidin-1-yl)phenyl]-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[1-(4,4-dimethylcyclohexen-1-yl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[1-(7-fluoro-2-methylquinolin-8-yl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[3-methyl-1-(4-methylcyclohexen-1-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-quinolin-3-ylnaphthalen-2-yl)propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-spiro[2.5]oct-6-en-6-ylnaphthalen-2-yl)propan-2-one |
| SMILES | CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ccccc2c1-c1c(F)ccc2ccc(C)nc12.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ccccc2c1-c1cccc(N2CCC2)c1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ccccc2c1-c1cnc2ccccc2c1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ccccc2c1C1=CCC(C)(C)CC1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ccccc2c1C1=CCC(C)CC1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ccccc2c1C1=CCC2(CC1)CC2 |
| InChI | InChI=1S/C28H28FNO2.C27H27NO2.C27H31NO2.C26H32O2.C26H34O2.C25H32O2/c1-16-15-20-9-7-8-10-21(20)24(23(16)27(18(3)31)32-28(4,5)6)25-22(29)14-13-19-12-11-17(2)30-26(19)25;1-17-14-19-10-6-8-12-22(19)25(24(17)26(18(2)29)30-27(3,4)5)21-15-20-11-7-9-13-23(20)28-16-21;1-18-16-20-10-6-7-13-23(20)25(24(18)26(19(2)29)30-27(3,4)5)21-11-8-12-22(17-21)28-14-9-15-28;1-17-16-20-8-6-7-9-21(20)23(19-10-12-26(13-11-19)14-15-26)22(17)24(18(2)27)28-25(3,4)5;1-17-16-20-10-8-9-11-21(20)23(19-12-14-26(6,7)15-13-19)22(17)24(18(2)27)28-25(3,4)5;1-16-11-13-19(14-12-16)23-21-10-8-7-9-20(21)15-17(2)22(23)24(18(3)26)27-25(4,5)6/h7-15,27H,1-6H3;6-16,26H,1-5H3;6-8,10-13,16-17,26H,9,14-15H2,1-5H3;6-10,16,24H,11-15H2,1-5H3;8-12,16,24H,13-15H2,1-7H3;7-10,13,15-16,24H,11-12,14H2,1-6H3/t27-;2*26-;2*24-;16?,24-/m111111/s1 |
| InChIKey | AWMRHDHDACTRGU-RUFUAAOQSA-N |
| XLogP | 41.46 |
| TPSA | 186.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 175 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2348.23 |
| LogP ≤ 5 | 41.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |