C115H127Cl5N30O7 — CID 167629196
2-[6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]-N-methylacetamide;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2H-pyrrol-4-yl)-4a,8a-dihydroquinolin-2-one;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-2-oxoquinolin-3-yl]-N-methylacetamide;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-(2H-pyrrol-4-yl)-4a,8a-dihydroquinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-pyrrol-1-ylquinolin-2-one (PubChem CID 167629196) has the molecular formula C115H127Cl5N30O7 and a molecular weight of 2218.75 g/mol. Its IUPAC name is 2-[6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]-N-methylacetamide;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2H-pyrrol-4-yl)-4a,8a-dihydroquinolin-2-one;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-2-oxoquinolin-3-yl]-N-methylacetamide;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-(2H-pyrrol-4-yl)-4a,8a-dihydroquinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-pyrrol-1-ylquinolin-2-one.
| Compound Name | 2-[6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]-N-methylacetamide;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2H-pyrrol-4-yl)-4a,8a-dihydroquinolin-2-one;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-2-oxoquinolin-3-yl]-N-methylacetamide;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-(2H-pyrrol-4-yl)-4a,8a-dihydroquinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-pyrrol-1-ylquinolin-2-one |
|---|---|
| PubChem CID | 167629196 |
| Molecular Formula | C115H127Cl5N30O7 |
| Molecular Weight | 2218.75 g/mol |
| Exact Mass | 2214.89 |
| IUPAC Name | 2-[6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-2-oxoquinolin-3-yl]-N-methylacetamide;6-[[5-chloro-2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(2H-pyrrol-4-yl)-4a,8a-dihydroquinolin-2-one;2-[6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-2-oxoquinolin-3-yl]-N-methylacetamide;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-(2H-pyrrol-4-yl)-4a,8a-dihydroquinolin-2-one;6-[(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)amino]-1-methyl-3-pyrrol-1-ylquinolin-2-one |
| SMILES | CC1CCN(c2ncc(Cl)c(NC3=CC4C=C(C5=CCN=C5)C(=O)N(C)C4C=C3)n2)CC1.CN1C(=O)C(C2=CCN=C2)=CC2C=C(Nc3nc(N4CCCCC4)ncc3Cl)C=CC21.CNC(=O)Cc1cc2cc(Nc3nc(N4CCC(C)CC4)ncc3Cl)ccc2n(C)c1=O.CNC(=O)Cc1cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc2n(C)c1=O.Cn1c(=O)c(-n2cccc2)cc2cc(Nc3nc(N4CCCCC4)ncc3Cl)ccc21 |
| InChI | InChI=1S/C24H27ClN6O.C23H27ClN6O2.C23H23ClN6O.C23H25ClN6O.C22H25ClN6O2/c1-15-6-9-31(10-7-15)24-27-14-20(25)22(29-24)28-18-3-4-21-17(11-18)12-19(23(32)30(21)2)16-5-8-26-13-16;1-14-6-8-30(9-7-14)23-26-13-18(24)21(28-23)27-17-4-5-19-15(11-17)10-16(12-20(31)25-2)22(32)29(19)3;1-28-19-8-7-17(13-16(19)14-20(22(28)31)29-9-5-6-10-29)26-21-18(24)15-25-23(27-21)30-11-3-2-4-12-30;1-29-20-6-5-17(11-16(20)12-18(22(29)31)15-7-8-25-13-15)27-21-19(24)14-26-23(28-21)30-9-3-2-4-10-30;1-24-19(30)12-15-10-14-11-16(6-7-18(14)28(2)21(15)31)26-20-17(23)13-25-22(27-20)29-8-4-3-5-9-29/h3-5,11-15,17,21H,6-10H2,1-2H3,(H,27,28,29);4-5,10-11,13-14H,6-9,12H2,1-3H3,(H,25,31)(H,26,27,28);5-10,13-15H,2-4,11-12H2,1H3,(H,25,26,27);5-7,11-14,16,20H,2-4,8-10H2,1H3,(H,26,27,28);6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,24,30)(H,25,26,27) |
| InChIKey | NNUOXBRGCDPIFI-UHFFFAOYSA-N |
| XLogP | 17.77 |
| TPSA | 399.72 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 157 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2218.75 |
| LogP ≤ 5 | 17.77 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 33 |