About 4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-(4-cyclopropyl-1H-indol-3-yl)-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-(4-cyclopropyl-1H-indol-3-yl)-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid (PubChem CID 158052765) has the molecular formula C157H188F2N12O20S2
and a molecular weight of 2665.42 g/mol. Its IUPAC name is 4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-(4-cyclopropyl-1H-indol-3-yl)-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid.
Frequently Asked Questions
What is the IUPAC name of 4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-(4-cyclopropyl-1H-indol-3-yl)-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-(4-cyclopropyl-1H-indol-3-yl)-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid (CID 158052765) is 4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-(4-cyclopropyl-1H-indol-3-yl)-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-(4-cyclopropyl-1H-indol-3-yl)-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-(4-cyclopropyl-1H-indol-3-yl)-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid is CC(C)(C(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccc(F)o3)c12.CC(C)(C(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3cccs3)c12.CC(C)(C(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1CCCC2(C)C(C(=O)O)CCCC12)c1c[nH]c2cccc(-c3ccc(F)o3)c12.CC(CC(=O)N1CCCC2(C)C(C(=O)O)CCCC12)c1c[nH]c2cccc(-c3cccs3)c12.CC(CC(=O)N1CCCC2(C)C(C(=O)O)CCCC12)c1c[nH]c2cccc(C3CC3)c12.
What is the InChIKey of 4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-(4-cyclopropyl-1H-indol-3-yl)-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?
The InChIKey is FJRIMJLRYGJKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN2O4.C27H32N2O3S.C26H29FN2O4.C26H30N2O3S.C26H34N2O3.C25H32N2O3/c1-16(18-15-29-20-8-3-6-17(25(18)20)21-10-11-23(28)34-21)14-24(31)30-13-5-12-27(2)19(26(32)33)7-4-9-22(27)30;1-17(19-16-28-21-9-3-7-18(25(19)21)22-10-5-14-33-22)15-24(30)29-13-6-12-27(2)20(26(31)32)8-4-11-23(27)29;1-26(2,25(32)29-13-5-8-15-16(24(30)31)6-4-10-20(15)29)18-14-28-19-9-3-7-17(23(18)19)21-11-12-22(27)33-21;1-26(2,19-15-27-20-10-3-8-18(23(19)20)22-12-6-14-32-22)25(31)28-13-5-9-16-17(24(29)30)7-4-11-21(16)28;1-16(19-15-27-21-8-3-6-18(24(19)21)17-10-11-17)14-23(29)28-13-5-12-26(2)20(25(30)31)7-4-9-22(26)28;1-25(2,19-14-26-20-9-3-6-16(22(19)20)15-11-12-15)24(30)27-13-5-8-17-18(23(28)29)7-4-10-21(17)27/h3,6,8,10-11,15-16,19,22,29H,4-5,7,9,12-14H2,1-2H3,(H,32,33);3,5,7,9-10,14,16-17,20,23,28H,4,6,8,11-13,15H2,1-2H3,(H,31,32);3,7,9,11-12,14-16,20,28H,4-6,8,10,13H2,1-2H3,(H,30,31);3,6,8,10,12,14-17,21,27H,4-5,7,9,11,13H2,1-2H3,(H,29,30);3,6,8,15-17,20,22,27H,4-5,7,9-14H2,1-2H3,(H,30,31);3,6,9,14-15,17-18,21,26H,4-5,7-8,10-13H2,1-2H3,(H,28,29).
What are the key properties of 4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-(4-cyclopropyl-1H-indol-3-yl)-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?
4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-(4-cyclopropyl-1H-indol-3-yl)-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid has a molecular weight of 2665.42 g/mol, XLogP of 33.45, 27 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-methyl-1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-(4-cyclopropyl-1H-indol-3-yl)-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]butanoyl]-4a-methyl-2,3,4,5,6,7,8,8a-octahydroquinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 158052765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).