C158H164N22O29 — CID 160905821
4-amino-6-butylquinoline-3-carboxylic acid;(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethyl-2-methylquinoline-3-carboxylic acid;decakis(carbon dioxide);5-(cyclohexylmethoxy)-2-methylquinolin-4-amine;5-cyclopropyl-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;2-ethylquinolin-4-amine;3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-methylquinolin-4-amine;2-phenylquinolin-4-amine;6-propoxyquinolin-4-amine (PubChem CID 160905821) has the molecular formula C158H164N22O29 and a molecular weight of 2835.17 g/mol. Its IUPAC name is 4-amino-6-butylquinoline-3-carboxylic acid;(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethyl-2-methylquinoline-3-carboxylic acid;decakis(carbon dioxide);5-(cyclohexylmethoxy)-2-methylquinolin-4-amine;5-cyclopropyl-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;2-ethylquinolin-4-amine;3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-methylquinolin-4-amine;2-phenylquinolin-4-amine;6-propoxyquinolin-4-amine.
| Compound Name | 4-amino-6-butylquinoline-3-carboxylic acid;(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethyl-2-methylquinoline-3-carboxylic acid;decakis(carbon dioxide);5-(cyclohexylmethoxy)-2-methylquinolin-4-amine;5-cyclopropyl-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;2-ethylquinolin-4-amine;3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-methylquinolin-4-amine;2-phenylquinolin-4-amine;6-propoxyquinolin-4-amine |
|---|---|
| PubChem CID | 160905821 |
| Molecular Formula | C158H164N22O29 |
| Molecular Weight | 2835.17 g/mol |
| Exact Mass | 2833.20 |
| IUPAC Name | 4-amino-6-butylquinoline-3-carboxylic acid;(4-amino-5-cyclohexyloxyquinolin-2-yl)methanol;4-amino-6-ethyl-2-methylquinoline-3-carboxylic acid;decakis(carbon dioxide);5-(cyclohexylmethoxy)-2-methylquinolin-4-amine;5-cyclopropyl-2-methylquinolin-4-amine;2,5-dimethylquinolin-4-amine;2-ethylquinolin-4-amine;3-methyl-6b,7,8,9,10,10a-hexahydro-[1]benzofuro[2,3-f]quinolin-1-amine;6-methylquinolin-4-amine;2-phenylquinolin-4-amine;6-propoxyquinolin-4-amine |
| SMILES | CCCCc1ccc2ncc(C(=O)O)c(N)c2c1.CCCOc1ccc2nccc(N)c2c1.CCc1cc(N)c2ccccc2n1.CCc1ccc2nc(C)c(C(=O)O)c(N)c2c1.Cc1cc(N)c2c(C)cccc2n1.Cc1cc(N)c2c(C3CC3)cccc2n1.Cc1cc(N)c2c(OCC3CCCCC3)cccc2n1.Cc1cc(N)c2c3c(ccc2n1)C1CCCCC1O3.Cc1ccc2nccc(N)c2c1.Nc1cc(-c2ccccc2)nc2ccccc12.Nc1cc(CO)nc2cccc(OC3CCCCC3)c12.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/C17H22N2O.C16H20N2O2.C16H18N2O.C15H12N2.C14H16N2O2.C13H14N2O2.C13H14N2.C12H14N2O.2C11H12N2.C10H10N2.10CO2/c1-12-10-14(18)17-15(19-12)8-5-9-16(17)20-11-13-6-3-2-4-7-13;17-13-9-11(10-19)18-14-7-4-8-15(16(13)14)20-12-5-2-1-3-6-12;1-9-8-12(17)15-13(18-9)7-6-11-10-4-2-3-5-14(10)19-16(11)15;16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;1-2-3-4-9-5-6-12-10(7-9)13(15)11(8-16-12)14(17)18;1-3-8-4-5-10-9(6-8)12(14)11(13(16)17)7(2)15-10;1-8-7-11(14)13-10(9-5-6-9)3-2-4-12(13)15-8;1-2-7-15-9-3-4-12-10(8-9)11(13)5-6-14-12;1-7-4-3-5-10-11(7)9(12)6-8(2)13-10;1-2-8-7-10(12)9-5-3-4-6-11(9)13-8;1-7-2-3-10-8(6-7)9(11)4-5-12-10;10*2-1-3/h5,8-10,13H,2-4,6-7,11H2,1H3,(H2,18,19);4,7-9,12,19H,1-3,5-6,10H2,(H2,17,18);6-8,10,14H,2-5H2,1H3,(H2,17,18);1-10H,(H2,16,17);5-8H,2-4H2,1H3,(H2,15,16)(H,17,18);4-6H,3H2,1-2H3,(H2,14,15)(H,16,17);2-4,7,9H,5-6H2,1H3,(H2,14,15);3-6,8H,2,7H2,1H3,(H2,13,14);3-6H,1-2H3,(H2,12,13);3-7H,2H2,1H3,(H2,12,13);2-6H,1H3,(H2,11,12);;;;;;;;;; |
| InChIKey | SQCWYOYNTHDOTM-UHFFFAOYSA-N |
| XLogP | 26.09 |
| TPSA | 901.16 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 49 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 209 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2835.17 |
| LogP ≤ 5 | 26.09 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 49 |