About 1-[3-(4-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;3-(6-chloro-5-methoxy-1H-indol-3-yl)-1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-methyl-1H-indol-3-yl)butan-1-one;1-[4-methyl-3-(4-methyl-1H-indol-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid
1-[3-(4-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;3-(6-chloro-5-methoxy-1H-indol-3-yl)-1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-methyl-1H-indol-3-yl)butan-1-one;1-[4-methyl-3-(4-methyl-1H-indol-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid (PubChem CID 158464799) has the molecular formula C147H182Cl3FN12O17
and a molecular weight of 2514.50 g/mol. Its IUPAC name is 1-[3-(4-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;3-(6-chloro-5-methoxy-1H-indol-3-yl)-1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-methyl-1H-indol-3-yl)butan-1-one;1-[4-methyl-3-(4-methyl-1H-indol-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid.
Frequently Asked Questions
What is the IUPAC name of 1-[3-(4-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;3-(6-chloro-5-methoxy-1H-indol-3-yl)-1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-methyl-1H-indol-3-yl)butan-1-one;1-[4-methyl-3-(4-methyl-1H-indol-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid?
The IUPAC name of 1-[3-(4-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;3-(6-chloro-5-methoxy-1H-indol-3-yl)-1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-methyl-1H-indol-3-yl)butan-1-one;1-[4-methyl-3-(4-methyl-1H-indol-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid (CID 158464799) is 1-[3-(4-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;3-(6-chloro-5-methoxy-1H-indol-3-yl)-1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-methyl-1H-indol-3-yl)butan-1-one;1-[4-methyl-3-(4-methyl-1H-indol-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid.
What is the SMILES notation for 1-[3-(4-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;3-(6-chloro-5-methoxy-1H-indol-3-yl)-1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-methyl-1H-indol-3-yl)butan-1-one;1-[4-methyl-3-(4-methyl-1H-indol-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid?
The canonical SMILES for 1-[3-(4-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;3-(6-chloro-5-methoxy-1H-indol-3-yl)-1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-methyl-1H-indol-3-yl)butan-1-one;1-[4-methyl-3-(4-methyl-1H-indol-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid is CC(C)C(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cccc(Cl)c12.COc1cc2c(C(C)CC(=O)N3CCC(O)C4CCCCC43)c[nH]c2cc1Cl.Cc1cccc2[nH]cc(C(C)CC(=O)N3CCC(O)C4CCCCC43)c12.Cc1cccc2[nH]cc(C(CC(=O)N3CCC(C(=O)O)C4CCCCC43)C(C)C)c12.O=C(O)C1CCC2C(CCCN2C(=O)CC(c2ccccc2)c2c[nH]c3cccc(F)c23)C1.O=C(O)C1CCN(C(=O)CC(c2ccccc2)c2c[nH]c3cc(Cl)ccc23)C2CCCCC12.
What is the InChIKey of 1-[3-(4-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;3-(6-chloro-5-methoxy-1H-indol-3-yl)-1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-methyl-1H-indol-3-yl)butan-1-one;1-[4-methyl-3-(4-methyl-1H-indol-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid?
The InChIKey is HFPVEYUZEQIAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O3.C27H29FN2O3.C25H34N2O3.C24H31ClN2O3.C22H29ClN2O3.C22H30N2O2/c28-18-10-11-19-23(16-29-24(19)14-18)22(17-6-2-1-3-7-17)15-26(31)30-13-12-21(27(32)33)20-8-4-5-9-25(20)30;28-22-9-4-10-23-26(22)21(16-29-23)20(17-6-2-1-3-7-17)15-25(31)30-13-5-8-18-14-19(27(32)33)11-12-24(18)30;1-15(2)19(20-14-26-21-9-6-7-16(3)24(20)21)13-23(28)27-12-11-18(25(29)30)17-8-4-5-10-22(17)27;1-14(2)17(18-13-26-20-8-5-7-19(25)23(18)20)12-22(28)27-11-10-16(24(29)30)15-6-3-4-9-21(15)27;1-13(16-12-24-18-11-17(23)21(28-2)10-15(16)18)9-22(27)25-8-7-20(26)14-5-3-4-6-19(14)25;1-14-6-5-8-18-22(14)17(13-23-18)15(2)12-21(26)24-11-10-20(25)16-7-3-4-9-19(16)24/h1-3,6-7,10-11,14,16,20-22,25,29H,4-5,8-9,12-13,15H2,(H,32,33);1-4,6-7,9-10,16,18-20,24,29H,5,8,11-15H2,(H,32,33);6-7,9,14-15,17-19,22,26H,4-5,8,10-13H2,1-3H3,(H,29,30);5,7-8,13-17,21,26H,3-4,6,9-12H2,1-2H3,(H,29,30);10-14,19-20,24,26H,3-9H2,1-2H3;5-6,8,13,15-16,19-20,23,25H,3-4,7,9-12H2,1-2H3.
What are the key properties of 1-[3-(4-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;3-(6-chloro-5-methoxy-1H-indol-3-yl)-1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-methyl-1H-indol-3-yl)butan-1-one;1-[4-methyl-3-(4-methyl-1H-indol-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid?
1-[3-(4-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;3-(6-chloro-5-methoxy-1H-indol-3-yl)-1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-methyl-1H-indol-3-yl)butan-1-one;1-[4-methyl-3-(4-methyl-1H-indol-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid has a molecular weight of 2514.50 g/mol, XLogP of 30.29, 27 rotatable bonds, 12 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;3-(6-chloro-5-methoxy-1H-indol-3-yl)-1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butan-1-one;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(4-methyl-1H-indol-3-yl)butan-1-one;1-[4-methyl-3-(4-methyl-1H-indol-3-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid is sourced from PubChem (CID 158464799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).