About methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (PubChem CID 164989985) has the molecular formula C118H143F2N13O18
and a molecular weight of 2069.51 g/mol. Its IUPAC name is methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.
Frequently Asked Questions
What is the IUPAC name of methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
The IUPAC name of methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (CID 164989985) is methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.
What is the SMILES notation for methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
The canonical SMILES for methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is COC(=O)N1c2ccc3c(nc([C@@](C)(O)c4cc(F)ccc4OC)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc([C@@](C)(O)c4ccccn4)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc([C@](C)(O)Cc4ccccc4)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc([C@](C)(O)c4cc(F)ccc4OC)n3[C@@H]3CCC[C@@H](C(C)=O)C3)c2CC[C@@H]1C.
What is the InChIKey of methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
The InChIKey is GSFFYFYUVFZUTP-FORUFKDFSA-N. The full InChI is InChI=1S/2C30H36FN3O5.C30H37N3O4.C28H34N4O4/c2*1-17-9-11-22-24(33(17)29(36)39-5)12-13-25-27(22)32-28(34(25)21-8-6-7-19(15-21)18(2)35)30(3,37)23-16-20(31)10-14-26(23)38-4;1-19-13-14-24-25(32(19)29(35)37-4)15-16-26-27(24)31-28(30(3,36)18-21-9-6-5-7-10-21)33(26)23-12-8-11-22(17-23)20(2)34;1-17-11-12-21-22(31(17)27(34)36-4)13-14-23-25(21)30-26(28(3,35)24-10-5-6-15-29-24)32(23)20-9-7-8-19(16-20)18(2)33/h2*10,12-14,16-17,19,21,37H,6-9,11,15H2,1-5H3;5-7,9-10,15-16,19,22-23,36H,8,11-14,17-18H2,1-4H3;5-6,10,13-15,17,19-20,35H,7-9,11-12,16H2,1-4H3/t17-,19+,21+,30+;17-,19+,21+,30-;19-,22+,23+,30+;17-,19+,20+,28-/m0000/s1.
What are the key properties of methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate has a molecular weight of 2069.51 g/mol, XLogP of 21.96, 19 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1R)-1-(5-fluoro-2-methoxyphenyl)-1-hydroxyethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;methyl (7S)-3-[(1R,3R)-3-acetylcyclohexyl]-2-[(1S)-1-hydroxy-1-pyridin-2-ylethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is sourced from PubChem (CID 164989985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).