1-[3-(6-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-3-carboxylic acid

C149H176Cl3F3N12O18S2 — CID 158936725

IUPAC1-[3-(6-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-3-carboxylic acid
SMILESCC(C)C(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cc(Cl)ccc12.CC(C)C(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cc(F)ccc12.CC(C)C(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cccc(F)c12.O=C(O)C1CC2CCCCC2N(C(=O)CC(c2ccccc2)c2c[nH]c3cccc(F)c23)C1.O=C(O)C1CCN(C(=O)CC(c2cccs2)c2c[nH]c3cc(Cl)ccc23)C2CCCCC12.O=C(O)C1CCN(C(=O)CC(c2cccs2)c2c[nH]c3cccc(Cl)c23)C2CCCCC12
InChIInChI=1S/C27H29FN2O3.2C25H27ClN2O3S.C24H31ClN2O3.2C24H31FN2O3/c28-22-10-6-11-23-26(22)21(15-29-23)20(17-7-2-1-3-8-17)14-25(31)30-16-19(27(32)33)13-18-9-4-5-12-24(18)30;26-19-6-3-7-20-24(19)18(14-27-20)17(22-9-4-12-32-22)13-23(29)28-11-10-16(25(30)31)15-5-1-2-8-21(15)28;26-15-7-8-16-20(14-27-21(16)12-15)19(23-6-3-11-32-23)13-24(29)28-10-9-18(25(30)31)17-4-1-2-5-22(17)28;1-14(2)19(20-13-26-21-11-15(25)7-8-16(20)21)12-23(28)27-10-9-18(24(29)30)17-5-3-4-6-22(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;1-14(2)19(20-13-26-21-11-15(25)7-8-16(20)21)12-23(28)27-10-9-18(24(29)30)17-5-3-4-6-22(17)27/h1-3,6-8,10-11,15,18-20,24,29H,4-5,9,12-14,16H2,(H,32,33);3-4,6-7,9,12,14-17,21,27H,1-2,5,8,10-11,13H2,(H,30,31);3,6-8,11-12,14,17-19,22,27H,1-2,4-5,9-10,13H2,(H,30,31);7-8,11,13-14,17-19,22,26H,3-6,9-10,12H2,1-2H3,(H,29,30);5,7-8,13-17,21,26H,3-4,6,9-12H2,1-2H3,(H,29,30);7-8,11,13-14,17-19,22,26H,3-6,9-10,12H2,1-2H3,(H,29,30)
InChIKeyJJSWVRLWZAOFIP-UHFFFAOYSA-N
MW2650.60 g/mol
LogP32.41
Rot. Bonds30

About 1-[3-(6-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-3-carboxylic acid

1-[3-(6-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-3-carboxylic acid (PubChem CID 158936725) has the molecular formula C149H176Cl3F3N12O18S2 and a molecular weight of 2650.60 g/mol. Its IUPAC name is 1-[3-(6-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(6-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-3-carboxylic acid
PubChem CID158936725
Molecular FormulaC149H176Cl3F3N12O18S2
Molecular Weight2650.60 g/mol
Exact Mass2647.17
IUPAC Name1-[3-(6-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-3-carboxylic acid
SMILESCC(C)C(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cc(Cl)ccc12.CC(C)C(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cc(F)ccc12.CC(C)C(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cccc(F)c12.O=C(O)C1CC2CCCCC2N(C(=O)CC(c2ccccc2)c2c[nH]c3cccc(F)c23)C1.O=C(O)C1CCN(C(=O)CC(c2cccs2)c2c[nH]c3cc(Cl)ccc23)C2CCCCC12.O=C(O)C1CCN(C(=O)CC(c2cccs2)c2c[nH]c3cccc(Cl)c23)C2CCCCC12
InChIInChI=1S/C27H29FN2O3.2C25H27ClN2O3S.C24H31ClN2O3.2C24H31FN2O3/c28-22-10-6-11-23-26(22)21(15-29-23)20(17-7-2-1-3-8-17)14-25(31)30-16-19(27(32)33)13-18-9-4-5-12-24(18)30;26-19-6-3-7-20-24(19)18(14-27-20)17(22-9-4-12-32-22)13-23(29)28-11-10-16(25(30)31)15-5-1-2-8-21(15)28;26-15-7-8-16-20(14-27-21(16)12-15)19(23-6-3-11-32-23)13-24(29)28-10-9-18(25(30)31)17-4-1-2-5-22(17)28;1-14(2)19(20-13-26-21-11-15(25)7-8-16(20)21)12-23(28)27-10-9-18(24(29)30)17-5-3-4-6-22(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;1-14(2)19(20-13-26-21-11-15(25)7-8-16(20)21)12-23(28)27-10-9-18(24(29)30)17-5-3-4-6-22(17)27/h1-3,6-8,10-11,15,18-20,24,29H,4-5,9,12-14,16H2,(H,32,33);3-4,6-7,9,12,14-17,21,27H,1-2,5,8,10-11,13H2,(H,30,31);3,6-8,11-12,14,17-19,22,27H,1-2,4-5,9-10,13H2,(H,30,31);7-8,11,13-14,17-19,22,26H,3-6,9-10,12H2,1-2H3,(H,29,30);5,7-8,13-17,21,26H,3-4,6,9-12H2,1-2H3,(H,29,30);7-8,11,13-14,17-19,22,26H,3-6,9-10,12H2,1-2H3,(H,29,30)
InChIKeyJJSWVRLWZAOFIP-UHFFFAOYSA-N
XLogP32.41
TPSA440.40 Ų
H-Bond Donors12
H-Bond Acceptors14
Rotatable Bonds30
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002650.60
LogP ≤ 532.41
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1014

Analyze 1-[3-(6-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-3-carboxylic acid?
The IUPAC name of 1-[3-(6-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-3-carboxylic acid (CID 158936725) is 1-[3-(6-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-3-carboxylic acid.
What is the SMILES notation for 1-[3-(6-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-3-carboxylic acid?
The canonical SMILES for 1-[3-(6-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-3-carboxylic acid is CC(C)C(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cc(Cl)ccc12.CC(C)C(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cc(F)ccc12.CC(C)C(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cccc(F)c12.O=C(O)C1CC2CCCCC2N(C(=O)CC(c2ccccc2)c2c[nH]c3cccc(F)c23)C1.O=C(O)C1CCN(C(=O)CC(c2cccs2)c2c[nH]c3cc(Cl)ccc23)C2CCCCC12.O=C(O)C1CCN(C(=O)CC(c2cccs2)c2c[nH]c3cccc(Cl)c23)C2CCCCC12.
What is the InChIKey of 1-[3-(6-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-3-carboxylic acid?
The InChIKey is JJSWVRLWZAOFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O3.2C25H27ClN2O3S.C24H31ClN2O3.2C24H31FN2O3/c28-22-10-6-11-23-26(22)21(15-29-23)20(17-7-2-1-3-8-17)14-25(31)30-16-19(27(32)33)13-18-9-4-5-12-24(18)30;26-19-6-3-7-20-24(19)18(14-27-20)17(22-9-4-12-32-22)13-23(29)28-11-10-16(25(30)31)15-5-1-2-8-21(15)28;26-15-7-8-16-20(14-27-21(16)12-15)19(23-6-3-11-32-23)13-24(29)28-10-9-18(25(30)31)17-4-1-2-5-22(17)28;1-14(2)19(20-13-26-21-11-15(25)7-8-16(20)21)12-23(28)27-10-9-18(24(29)30)17-5-3-4-6-22(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;1-14(2)19(20-13-26-21-11-15(25)7-8-16(20)21)12-23(28)27-10-9-18(24(29)30)17-5-3-4-6-22(17)27/h1-3,6-8,10-11,15,18-20,24,29H,4-5,9,12-14,16H2,(H,32,33);3-4,6-7,9,12,14-17,21,27H,1-2,5,8,10-11,13H2,(H,30,31);3,6-8,11-12,14,17-19,22,27H,1-2,4-5,9-10,13H2,(H,30,31);7-8,11,13-14,17-19,22,26H,3-6,9-10,12H2,1-2H3,(H,29,30);5,7-8,13-17,21,26H,3-4,6,9-12H2,1-2H3,(H,29,30);7-8,11,13-14,17-19,22,26H,3-6,9-10,12H2,1-2H3,(H,29,30).
What are the key properties of 1-[3-(6-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-3-carboxylic acid?
1-[3-(6-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-3-carboxylic acid has a molecular weight of 2650.60 g/mol, XLogP of 32.41, 30 rotatable bonds, 12 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-chloro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-chloro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-3-carboxylic acid is sourced from PubChem (CID 158936725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).