C100H104FN19O — CID 159566053
3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol (PubChem CID 159566053) has the molecular formula C100H104FN19O and a molecular weight of 1607.06 g/mol. Its IUPAC name is 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol.
| Compound Name | 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol |
|---|---|
| PubChem CID | 159566053 |
| Molecular Formula | C100H104FN19O |
| Molecular Weight | 1607.06 g/mol |
| Exact Mass | 1605.87 |
| IUPAC Name | 3-ethenyl-6-[(1S)-1-(5-methyl-1H-imidazol-4-yl)propyl]quinoline;4-fluoro-7-[1-(5-methyl-1H-imidazol-4-yl)propyl]isoquinoline;7-[(1R)-1-(5-methyl-1H-imidazol-4-yl)ethyl]quinoline;5-[(5-methyl-1H-imidazol-4-yl)methyl]quinoline;5-[1-(5-methyl-1H-imidazol-4-yl)pentyl]quinoline-3-carbonitrile;[5-[2-methyl-1-(5-methyl-1H-imidazol-4-yl)propyl]quinolin-8-yl]methanol |
| SMILES | C=Cc1cnc2ccc([C@H](CC)c3nc[nH]c3C)cc2c1.CCC(c1ccc2c(F)cncc2c1)c1nc[nH]c1C.CCCCC(c1nc[nH]c1C)c1cccc2ncc(C#N)cc12.Cc1[nH]cnc1C(c1ccc(CO)c2ncccc12)C(C)C.Cc1[nH]cnc1Cc1cccc2ncccc12.Cc1[nH]cnc1[C@H](C)c1ccc2cccnc2c1 |
| InChI | InChI=1S/C19H20N4.C18H21N3O.C18H19N3.C16H16FN3.C15H15N3.C14H13N3/c1-3-4-6-16(19-13(2)22-12-23-19)15-7-5-8-18-17(15)9-14(10-20)11-21-18;1-11(2)16(17-12(3)20-10-21-17)14-7-6-13(9-22)18-15(14)5-4-8-19-18;1-4-13-8-15-9-14(6-7-17(15)19-10-13)16(5-2)18-12(3)20-11-21-18;1-3-13(16-10(2)19-9-20-16)11-4-5-14-12(6-11)7-18-8-15(14)17;1-10(15-11(2)17-9-18-15)13-6-5-12-4-3-7-16-14(12)8-13;1-10-14(17-9-16-10)8-11-4-2-6-13-12(11)5-3-7-15-13/h5,7-9,11-12,16H,3-4,6H2,1-2H3,(H,22,23);4-8,10-11,16,22H,9H2,1-3H3,(H,20,21);4,6-11,16H,1,5H2,2-3H3,(H,20,21);4-9,13H,3H2,1-2H3,(H,19,20);3-10H,1-2H3,(H,17,18);2-7,9H,8H2,1H3,(H,16,17)/t;;16-;;10-;/m..0.1./s1 |
| InChIKey | MHFALXXUXKZQIH-QCCVHUTPSA-N |
| XLogP | 22.68 |
| TPSA | 293.44 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 121 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1607.06 |
| LogP ≤ 5 | 22.68 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 14 |