C145H182Cl6N42 — CID 159320495
7-chloro-N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[2-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[3-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propyl]quinolin-4-amine;7-chloro-N-[2-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[3-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propyl]quinolin-4-amine (PubChem CID 159320495) has the molecular formula C145H182Cl6N42 and a molecular weight of 2726.06 g/mol. Its IUPAC name is 7-chloro-N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[2-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[3-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propyl]quinolin-4-amine;7-chloro-N-[2-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[3-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propyl]quinolin-4-amine.
| Compound Name | 7-chloro-N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[2-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[3-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propyl]quinolin-4-amine;7-chloro-N-[2-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[3-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propyl]quinolin-4-amine |
|---|---|
| PubChem CID | 159320495 |
| Molecular Formula | C145H182Cl6N42 |
| Molecular Weight | 2726.06 g/mol |
| Exact Mass | 2721.37 |
| IUPAC Name | 7-chloro-N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[2-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[3-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propyl]quinolin-4-amine;7-chloro-N-[2-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[3-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propyl]quinolin-4-amine |
| SMILES | Cc1cc(N2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)nc(N2CCCC2)n1.Cc1cc(N2CCN(CCNc3ccnc4cc(Cl)ccc34)CC2)nc(N2CCCC2)n1.Cc1cc(N2CCN(CCNc3ccnc4cc(Cl)ccc34)CC2)nc(N2CCCCC2)n1.Clc1ccc2c(NCCCN3CCN(c4ccnc(N5CCCC5)n4)CC3)ccnc2c1.Clc1ccc2c(NCCN3CCN(c4ccnc(N5CCCC5)n4)CC3)ccnc2c1.Clc1ccc2c(NCCN3CCN(c4ccnc(N5CCCCC5)n4)CC3)ccnc2c1 |
| InChI | InChI=1S/2C25H32ClN7.3C24H30ClN7.C23H28ClN7/c1-19-17-24(30-25(29-19)33-11-2-3-12-33)32-15-13-31(14-16-32)10-4-8-27-22-7-9-28-23-18-20(26)5-6-21(22)23;1-19-17-24(30-25(29-19)33-10-3-2-4-11-33)32-15-13-31(14-16-32)12-9-28-22-7-8-27-23-18-20(26)5-6-21(22)23;1-18-16-23(29-24(28-18)32-9-2-3-10-32)31-14-12-30(13-15-31)11-8-27-21-6-7-26-22-17-19(25)4-5-20(21)22;25-19-4-5-20-21(6-9-27-22(20)18-19)26-8-3-11-30-14-16-31(17-15-30)23-7-10-28-24(29-23)32-12-1-2-13-32;25-19-4-5-20-21(6-8-26-22(20)18-19)27-10-13-30-14-16-31(17-15-30)23-7-9-28-24(29-23)32-11-2-1-3-12-32;24-18-3-4-19-20(5-7-25-21(19)17-18)26-9-12-29-13-15-30(16-14-29)22-6-8-27-23(28-22)31-10-1-2-11-31/h5-7,9,17-18H,2-4,8,10-16H2,1H3,(H,27,28);5-8,17-18H,2-4,9-16H2,1H3,(H,27,28);4-7,16-17H,2-3,8-15H2,1H3,(H,26,27);4-7,9-10,18H,1-3,8,11-17H2,(H,26,27);4-9,18H,1-3,10-17H2,(H,26,27);3-8,17H,1-2,9-16H2,(H,25,26) |
| InChIKey | LDRUHAWLFVBEMW-UHFFFAOYSA-N |
| XLogP | 23.56 |
| TPSA | 362.52 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 193 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2726.06 |
| LogP ≤ 5 | 23.56 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 42 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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