About (2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylbutan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylpentan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(3-methylpentan-3-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methyl-4-phenylbutan-2-yl)oxyacetic acid;methane;(1S)-1-[7-methyl-2-(methylamino)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylbutan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylpentan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(3-methylpentan-3-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methyl-4-phenylbutan-2-yl)oxyacetic acid;methane;(1S)-1-[7-methyl-2-(methylamino)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (PubChem CID 157238144) has the molecular formula C156H171N11O19
and a molecular weight of 2504.14 g/mol. Its IUPAC name is (2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylbutan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylpentan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(3-methylpentan-3-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methyl-4-phenylbutan-2-yl)oxyacetic acid;methane;(1S)-1-[7-methyl-2-(methylamino)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.
Frequently Asked Questions
What is the IUPAC name of (2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylbutan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylpentan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(3-methylpentan-3-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methyl-4-phenylbutan-2-yl)oxyacetic acid;methane;(1S)-1-[7-methyl-2-(methylamino)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The IUPAC name of (2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylbutan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylpentan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(3-methylpentan-3-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methyl-4-phenylbutan-2-yl)oxyacetic acid;methane;(1S)-1-[7-methyl-2-(methylamino)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (CID 157238144) is (2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylbutan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylpentan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(3-methylpentan-3-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methyl-4-phenylbutan-2-yl)oxyacetic acid;methane;(1S)-1-[7-methyl-2-(methylamino)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.
What is the SMILES notation for (2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylbutan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylpentan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(3-methylpentan-3-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methyl-4-phenylbutan-2-yl)oxyacetic acid;methane;(1S)-1-[7-methyl-2-(methylamino)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The canonical SMILES for (2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylbutan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylpentan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(3-methylpentan-3-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methyl-4-phenylbutan-2-yl)oxyacetic acid;methane;(1S)-1-[7-methyl-2-(methylamino)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is C.C.C.CCC(C)(C)O[C@H](C(=O)O)c1c(C)cc2nc(C)ccc2c1-c1ccc2c3c(ccnc13)CCO2.CCC(C)(CC)O[C@H](C(=O)O)c1c(C)cc2nc(C)ccc2c1-c1ccc2c3c(ccnc13)CCO2.CCCC(C)(C)O[C@H](C(=O)O)c1c(C)cc2nc(C)ccc2c1-c1ccc2c3c(ccnc13)CCO2.CNc1ccc2c(-c3ccc4c5c(ccnc35)CCO4)c([C@H](OC(C)(C)C)C(C)=O)c(C)cc2n1.Cc1ccc2c(-c3ccc4c5c(ccnc35)CCO4)c([C@H](OC(C)(C)CCc3ccccc3)C(=O)O)c(C)cc2n1.
What is the InChIKey of (2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylbutan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylpentan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(3-methylpentan-3-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methyl-4-phenylbutan-2-yl)oxyacetic acid;methane;(1S)-1-[7-methyl-2-(methylamino)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The InChIKey is AUWRWVFNMPGIOV-LPKSDMMOSA-N. The full InChI is InChI=1S/C35H34N2O4.2C30H32N2O4.C29H31N3O3.C29H30N2O4.3CH4/c1-21-20-27-25(11-10-22(2)37-27)31(26-12-13-28-30-24(16-19-40-28)15-18-36-32(26)30)29(21)33(34(38)39)41-35(3,4)17-14-23-8-6-5-7-9-23;1-6-13-30(4,5)36-28(29(33)34)24-17(2)16-22-20(8-7-18(3)32-22)26(24)21-9-10-23-25-19(12-15-35-23)11-14-31-27(21)25;1-6-30(5,7-2)36-28(29(33)34)24-17(3)16-22-20(9-8-18(4)32-22)26(24)21-10-11-23-25-19(13-15-35-23)12-14-31-27(21)25;1-16-15-21-19(8-10-23(30-6)32-21)26(24(16)28(17(2)33)35-29(3,4)5)20-7-9-22-25-18(12-14-34-22)11-13-31-27(20)25;1-6-29(4,5)35-27(28(32)33)23-16(2)15-21-19(8-7-17(3)31-21)25(23)20-9-10-22-24-18(12-14-34-22)11-13-30-26(20)24;;;/h5-13,15,18,20,33H,14,16-17,19H2,1-4H3,(H,38,39);7-11,14,16,28H,6,12-13,15H2,1-5H3,(H,33,34);8-12,14,16,28H,6-7,13,15H2,1-5H3,(H,33,34);7-11,13,15,28H,12,14H2,1-6H3,(H,30,32);7-11,13,15,27H,6,12,14H2,1-5H3,(H,32,33);3*1H4/t33-;3*28-;27-;;;/m00010.../s1.
What are the key properties of (2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylbutan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylpentan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(3-methylpentan-3-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methyl-4-phenylbutan-2-yl)oxyacetic acid;methane;(1S)-1-[7-methyl-2-(methylamino)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylbutan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylpentan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(3-methylpentan-3-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methyl-4-phenylbutan-2-yl)oxyacetic acid;methane;(1S)-1-[7-methyl-2-(methylamino)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one has a molecular weight of 2504.14 g/mol, XLogP of 35.42, 33 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylbutan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methylpentan-2-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(3-methylpentan-3-yloxy)acetic acid;(2S)-2-[2,7-dimethyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-(2-methyl-4-phenylbutan-2-yl)oxyacetic acid;methane;(1S)-1-[7-methyl-2-(methylamino)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is sourced from PubChem (CID 157238144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).