C159H180N22O30S — CID 158126796
4-amino-2-methyl-6-propylquinoline-3-carboxylic acid;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;2,5-dimethylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine;6-propoxyquinolin-4-amine (PubChem CID 158126796) has the molecular formula C159H180N22O30S and a molecular weight of 2911.38 g/mol. Its IUPAC name is 4-amino-2-methyl-6-propylquinoline-3-carboxylic acid;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;2,5-dimethylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine;6-propoxyquinolin-4-amine.
| Compound Name | 4-amino-2-methyl-6-propylquinoline-3-carboxylic acid;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;2,5-dimethylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine;6-propoxyquinolin-4-amine |
|---|---|
| PubChem CID | 158126796 |
| Molecular Formula | C159H180N22O30S |
| Molecular Weight | 2911.38 g/mol |
| Exact Mass | 2909.30 |
| IUPAC Name | 4-amino-2-methyl-6-propylquinoline-3-carboxylic acid;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;2,5-dimethylquinolin-4-amine;5-(2-ethylbutoxy)-2-methylquinolin-4-amine;5-methoxy-2-methylquinolin-4-amine;2-methylquinolin-4-amine;2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-amine;6-propoxyquinolin-4-amine |
| SMILES | CCC(CC)COc1cccc2nc(C)cc(N)c12.CCCOc1ccc2nccc(N)c2c1.CCCc1ccc2nc(C)c(C(=O)O)c(N)c2c1.COc1cccc2nc(C)cc(N)c12.Cc1cc(N)c2c(C)cccc2n1.Cc1cc(N)c2c(CCC(C)(C)C)cccc2n1.Cc1cc(N)c2c(OC3CCCC3)cccc2n1.Cc1cc(N)c2c(OCC(C)(C)C)cccc2n1.Cc1cc(N)c2c(OCC3CCCC3)cccc2n1.Cc1cc(N)c2c3c(sc2n1)CCCC3.Cc1cc(N)c2ccccc2n1.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/C16H20N2O.C16H22N2O.C16H22N2.C15H18N2O.C15H20N2O.C14H16N2O2.C12H14N2O.C12H14N2S.C11H12N2O.C11H12N2.C10H10N2.11CO2/c1-11-9-13(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;1-3-4-9-5-6-11-10(7-9)13(15)12(14(17)18)8(2)16-11;1-2-7-15-9-3-4-12-10(8-9)11(13)5-6-14-12;1-7-6-9(13)11-8-4-2-3-5-10(8)15-12(11)14-7;1-7-6-8(12)11-9(13-7)4-3-5-10(11)14-2;1-7-4-3-5-10-11(7)9(12)6-8(2)13-10;1-7-6-9(11)8-4-2-3-5-10(8)12-7;11*2-1-3/h4,7-9,12H,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);5-7H,3-4H2,1-2H3,(H2,15,16)(H,17,18);3-6,8H,2,7H2,1H3,(H2,13,14);6H,2-5H2,1H3,(H2,13,14);3-6H,1-2H3,(H2,12,13);3-6H,1-2H3,(H2,12,13);2-6H,1H3,(H2,11,12);;;;;;;;;;; |
| InChIKey | FSGUNXGRNAKNIV-UHFFFAOYSA-N |
| XLogP | 27.46 |
| TPSA | 896.23 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 52 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 212 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2911.38 |
| LogP ≤ 5 | 27.46 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 52 |