C170H196N22O32 — CID 159211867
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]benzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide;undecakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2,2-dimethylpropoxy)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine (PubChem CID 159211867) has the molecular formula C170H196N22O32 and a molecular weight of 3059.56 g/mol. Its IUPAC name is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]benzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide;undecakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2,2-dimethylpropoxy)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine.
| Compound Name | N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]benzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide;undecakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2,2-dimethylpropoxy)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine |
|---|---|
| PubChem CID | 159211867 |
| Molecular Formula | C170H196N22O32 |
| Molecular Weight | 3059.56 g/mol |
| Exact Mass | 3057.44 |
| IUPAC Name | N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]benzamide;N-[1-(4-amino-2-methylquinolin-5-yl)oxy-2-methylpropan-2-yl]-3-methylbenzamide;undecakis(carbon dioxide);5-(cyclopentylmethoxy)-2-methylquinolin-4-amine;5-cyclopentyloxy-2-methylquinolin-4-amine;5-(3,3-dimethylbutyl)-2-methylquinolin-4-amine;5-(2,2-dimethylpropoxy)-2-methylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-heptan-4-yloxy-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine |
| SMILES | CCC(CC)COc1cccc2nc(C)cc(N)c12.CCCC(CCC)Oc1cccc2nc(C)cc(N)c12.COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(CCC(C)(C)C)cccc2n1.Cc1cc(N)c2c(OC3CCCC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)C)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)NC(=O)c3ccccc3)cccc2n1.Cc1cc(N)c2c(OCC3CCCC3)cccc2n1.Cc1cc(N)c2ccccc2n1.Cc1cccc(C(=O)NC(C)(C)COc2cccc3nc(C)cc(N)c23)c1.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O |
| InChI | InChI=1S/C22H25N3O2.C21H23N3O2.C17H24N2O.C16H20N2O.C16H22N2O.C16H22N2.C15H18N2O.C15H20N2O.C11H12N2O.C10H10N2.11CO2/c1-14-7-5-8-16(11-14)21(26)25-22(3,4)13-27-19-10-6-9-18-20(19)17(23)12-15(2)24-18;1-14-12-16(22)19-17(23-14)10-7-11-18(19)26-13-21(2,3)24-20(25)15-8-5-4-6-9-15;1-4-7-13(8-5-2)20-16-10-6-9-15-17(16)14(18)11-12(3)19-15;1-11-9-13(17)16-14(18-11)7-4-8-15(16)19-10-12-5-2-3-6-12;1-4-12(5-2)10-19-15-8-6-7-14-16(15)13(17)9-11(3)18-14;1-11-10-13(17)15-12(8-9-16(2,3)4)6-5-7-14(15)18-11;1-10-9-12(16)15-13(17-10)7-4-8-14(15)18-11-5-2-3-6-11;1-10-8-11(16)14-12(17-10)6-5-7-13(14)18-9-15(2,3)4;1-7-6-8(12)11-9(13-7)4-3-5-10(11)14-2;1-7-6-9(11)8-4-2-3-5-10(8)12-7;11*2-1-3/h5-12H,13H2,1-4H3,(H2,23,24)(H,25,26);4-12H,13H2,1-3H3,(H2,22,23)(H,24,25);6,9-11,13H,4-5,7-8H2,1-3H3,(H2,18,19);4,7-9,12H,2-3,5-6,10H2,1H3,(H2,17,18);6-9,12H,4-5,10H2,1-3H3,(H2,17,18);5-7,10H,8-9H2,1-4H3,(H2,17,18);4,7-9,11H,2-3,5-6H2,1H3,(H2,16,17);5-8H,9H2,1-4H3,(H2,16,17);3-6H,1-2H3,(H2,12,13);2-6H,1H3,(H2,11,12);;;;;;;;;;; |
| InChIKey | KQOYKDIUISFXKF-UHFFFAOYSA-N |
| XLogP | 28.78 |
| TPSA | 896.68 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 52 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 224 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3059.56 |
| LogP ≤ 5 | 28.78 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 52 |