About 1-[(2S)-5-(4-amino-2-fluorophenoxy)-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluoro-4-nitrophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;tert-butyl 4-[4-[(2S)-1-acetyl-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;1,2-difluoro-4-nitrobenzene;1-[(2S)-5-(2-fluorophenoxy)-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methane;2,2,2-trifluoroacetic acid
1-[(2S)-5-(4-amino-2-fluorophenoxy)-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluoro-4-nitrophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;tert-butyl 4-[4-[(2S)-1-acetyl-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;1,2-difluoro-4-nitrobenzene;1-[(2S)-5-(2-fluorophenoxy)-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methane;2,2,2-trifluoroacetic acid (PubChem CID 157415908) has the molecular formula C151H171BBr4F10N18O24
and a molecular weight of 3142.54 g/mol. Its IUPAC name is 1-[(2S)-5-(4-amino-2-fluorophenoxy)-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluoro-4-nitrophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;tert-butyl 4-[4-[(2S)-1-acetyl-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;1,2-difluoro-4-nitrobenzene;1-[(2S)-5-(2-fluorophenoxy)-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methane;2,2,2-trifluoroacetic acid.
Frequently Asked Questions
What is the IUPAC name of 1-[(2S)-5-(4-amino-2-fluorophenoxy)-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluoro-4-nitrophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;tert-butyl 4-[4-[(2S)-1-acetyl-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;1,2-difluoro-4-nitrobenzene;1-[(2S)-5-(2-fluorophenoxy)-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methane;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[(2S)-5-(4-amino-2-fluorophenoxy)-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluoro-4-nitrophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;tert-butyl 4-[4-[(2S)-1-acetyl-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;1,2-difluoro-4-nitrobenzene;1-[(2S)-5-(2-fluorophenoxy)-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methane;2,2,2-trifluoroacetic acid (CID 157415908) is 1-[(2S)-5-(4-amino-2-fluorophenoxy)-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluoro-4-nitrophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;tert-butyl 4-[4-[(2S)-1-acetyl-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;1,2-difluoro-4-nitrobenzene;1-[(2S)-5-(2-fluorophenoxy)-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[(2S)-5-(4-amino-2-fluorophenoxy)-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluoro-4-nitrophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;tert-butyl 4-[4-[(2S)-1-acetyl-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;1,2-difluoro-4-nitrobenzene;1-[(2S)-5-(2-fluorophenoxy)-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[(2S)-5-(4-amino-2-fluorophenoxy)-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluoro-4-nitrophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;tert-butyl 4-[4-[(2S)-1-acetyl-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;1,2-difluoro-4-nitrobenzene;1-[(2S)-5-(2-fluorophenoxy)-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methane;2,2,2-trifluoroacetic acid is C.CC(=O)N1c2ccc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)c(Oc3ccccc3F)c2CC[C@@H]1C.CC(=O)N1c2ccc(-c3cnn(C4CCNCC4)c3)c(Oc3ccccc3F)c2CC[C@@H]1C.CC(=O)N1c2ccc(Br)c(O)c2CC[C@@H]1C.CC(=O)N1c2ccc(Br)c(Oc3ccc(N)cc3F)c2CC[C@@H]1C.CC(=O)N1c2ccc(Br)c(Oc3ccc([N+](=O)[O-])cc3F)c2CC[C@@H]1C.CC(=O)N1c2ccc(Br)c(Oc3ccccc3F)c2CC[C@@H]1C.CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.O=C(O)C(F)(F)F.O=[N+]([O-])c1ccc(F)c(F)c1.
What is the InChIKey of 1-[(2S)-5-(4-amino-2-fluorophenoxy)-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluoro-4-nitrophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;tert-butyl 4-[4-[(2S)-1-acetyl-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;1,2-difluoro-4-nitrobenzene;1-[(2S)-5-(2-fluorophenoxy)-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methane;2,2,2-trifluoroacetic acid?
The InChIKey is UNTOXZRONRAYIL-VWHVRTOFSA-N. The full InChI is InChI=1S/C31H37FN4O4.C26H29FN4O2.C19H32BN3O4.C18H16BrFN2O4.C18H18BrFN2O2.C18H17BrFNO2.C12H14BrNO2.C6H3F2NO2.C2HF3O2.CH4/c1-20-10-11-25-27(36(20)21(2)37)13-12-24(29(25)39-28-9-7-6-8-26(28)32)22-18-33-35(19-22)23-14-16-34(17-15-23)30(38)40-31(3,4)5;1-17-7-8-22-24(31(17)18(2)32)10-9-21(26(22)33-25-6-4-3-5-23(25)27)19-15-29-30(16-19)20-11-13-28-14-12-20;1-17(2,3)25-16(24)22-10-8-15(9-11-22)23-13-14(12-21-23)20-26-18(4,5)19(6,7)27-20;1-10-3-5-13-16(21(10)11(2)23)7-6-14(19)18(13)26-17-8-4-12(22(24)25)9-15(17)20;1-10-3-5-13-16(22(10)11(2)23)7-6-14(19)18(13)24-17-8-4-12(21)9-15(17)20;1-11-7-8-13-16(21(11)12(2)22)10-9-14(19)18(13)23-17-6-4-3-5-15(17)20;1-7-3-4-9-11(14(7)8(2)15)6-5-10(13)12(9)16;7-5-2-1-4(9(10)11)3-6(5)8;3-2(4,5)1(6)7;/h6-9,12-13,18-20,23H,10-11,14-17H2,1-5H3;3-6,9-10,15-17,20,28H,7-8,11-14H2,1-2H3;12-13,15H,8-11H2,1-7H3;4,6-10H,3,5H2,1-2H3;4,6-10H,3,5,21H2,1-2H3;3-6,9-11H,7-8H2,1-2H3;5-7,16H,3-4H2,1-2H3;1-3H;(H,6,7);1H4/t20-;17-;;2*10-;11-;7-;;;/m00.0000.../s1.
What are the key properties of 1-[(2S)-5-(4-amino-2-fluorophenoxy)-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluoro-4-nitrophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;tert-butyl 4-[4-[(2S)-1-acetyl-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;1,2-difluoro-4-nitrobenzene;1-[(2S)-5-(2-fluorophenoxy)-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methane;2,2,2-trifluoroacetic acid?
1-[(2S)-5-(4-amino-2-fluorophenoxy)-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluoro-4-nitrophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;tert-butyl 4-[4-[(2S)-1-acetyl-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;1,2-difluoro-4-nitrobenzene;1-[(2S)-5-(2-fluorophenoxy)-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methane;2,2,2-trifluoroacetic acid has a molecular weight of 3142.54 g/mol, XLogP of 35.27, 18 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-5-(4-amino-2-fluorophenoxy)-6-bromo-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluoro-4-nitrophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[(2S)-6-bromo-5-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone;tert-butyl 4-[4-[(2S)-1-acetyl-5-(2-fluorophenoxy)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;1,2-difluoro-4-nitrobenzene;1-[(2S)-5-(2-fluorophenoxy)-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;methane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 157415908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).