C146H189N17O28 — CID 161279071
1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclopropyl-2,2-dimethylpentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethylhexan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyloctan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-5-ethyl-2,2-dimethylheptan-3-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-cyclohexylacetamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;heptakis(carbon dioxide) (PubChem CID 161279071) has the molecular formula C146H189N17O28 and a molecular weight of 2630.21 g/mol. Its IUPAC name is 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclopropyl-2,2-dimethylpentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethylhexan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyloctan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-5-ethyl-2,2-dimethylheptan-3-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-cyclohexylacetamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;heptakis(carbon dioxide).
| Compound Name | 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclopropyl-2,2-dimethylpentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethylhexan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyloctan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-5-ethyl-2,2-dimethylheptan-3-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-cyclohexylacetamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;heptakis(carbon dioxide) |
|---|---|
| PubChem CID | 161279071 |
| Molecular Formula | C146H189N17O28 |
| Molecular Weight | 2630.21 g/mol |
| Exact Mass | 2628.39 |
| IUPAC Name | 1-(4-amino-2-methylquinolin-5-yl)oxy-5-cyclopropyl-2,2-dimethylpentan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethylhexan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-2,2-dimethyloctan-3-one;1-(4-amino-2-methylquinolin-5-yl)oxy-5-ethyl-2,2-dimethylheptan-3-one;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]cyclobutanecarboxamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-2-cyclohexylacetamide;1-[4-(4-amino-2-methylquinolin-5-yl)oxypiperidin-1-yl]-2-methylpropan-1-one;heptakis(carbon dioxide) |
| SMILES | CCC(CC)CC(=O)C(C)(C)COc1cccc2nc(C)cc(N)c12.CCCC(=O)C(C)(C)COc1cccc2nc(C)cc(N)c12.CCCCCC(=O)C(C)(C)COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(OC3CCN(C(=O)C(C)C)CC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)C(=O)CCC3CC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)C3CCC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)CC3CCCCC3)cccc2n1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O |
| InChI | InChI=1S/C22H31N3O2.C21H30N2O2.C20H26N2O2.C20H28N2O2.2C19H25N3O2.C18H24N2O2.7CO2/c1-15-12-17(23)21-18(24-15)10-7-11-19(21)27-14-22(2,3)25-20(26)13-16-8-5-4-6-9-16;1-6-15(7-2)12-19(24)21(4,5)13-25-18-10-8-9-17-20(18)16(22)11-14(3)23-17;1-13-11-15(21)19-16(22-13)5-4-6-17(19)24-12-20(2,3)18(23)10-9-14-7-8-14;1-5-6-7-11-18(23)20(3,4)13-24-17-10-8-9-16-19(17)15(21)12-14(2)22-16;1-12-10-14(20)17-15(21-12)8-5-9-16(17)24-11-19(2,3)22-18(23)13-6-4-7-13;1-12(2)19(23)22-9-7-14(8-10-22)24-17-6-4-5-16-18(17)15(20)11-13(3)21-16;1-5-7-16(21)18(3,4)11-22-15-9-6-8-14-17(15)13(19)10-12(2)20-14;7*2-1-3/h7,10-12,16H,4-6,8-9,13-14H2,1-3H3,(H2,23,24)(H,25,26);8-11,15H,6-7,12-13H2,1-5H3,(H2,22,23);4-6,11,14H,7-10,12H2,1-3H3,(H2,21,22);8-10,12H,5-7,11,13H2,1-4H3,(H2,21,22);5,8-10,13H,4,6-7,11H2,1-3H3,(H2,20,21)(H,22,23);4-6,11-12,14H,7-10H2,1-3H3,(H2,20,21);6,8-10H,5,7,11H2,1-4H3,(H2,19,20);;;;;;; |
| InChIKey | VEVIVJOTEWEUFN-UHFFFAOYSA-N |
| XLogP | 24.43 |
| TPSA | 722.75 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 191 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2630.21 |
| LogP ≤ 5 | 24.43 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 42 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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