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

C176H216ClFN14O21S — CID 161005538

IUPAC1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;2-[1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
SMILESCC(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1CCC(CC(=O)O)C2CCCCC21)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3cccs3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(Cl)c12.CC(CC(=O)N1CCCC2CC(C(=O)O)CCC21)c1c[nH]c2cccc(C3CC3)c12.O=C(O)C1CCCC2C1CCCN2C(=O)CC(c1ccccc1)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C27H29FN2O3.C26H30N2O3S.C26H34N2O3.3C25H32N2O3.C22H27ClN2O3/c28-22-11-5-12-23-26(22)21(16-29-23)20(17-7-2-1-3-8-17)15-25(31)30-14-6-10-18-19(27(32)33)9-4-13-24(18)30;1-16(20-15-27-21-9-2-7-19(25(20)21)23-11-5-13-32-23)14-24(29)28-12-4-8-17-18(26(30)31)6-3-10-22(17)28;1-16(21-15-27-22-7-4-6-20(26(21)22)17-9-10-17)13-24(29)28-12-11-18(14-25(30)31)19-5-2-3-8-23(19)28;1-15(20-14-26-21-8-2-5-17(24(20)21)16-10-11-16)13-23(28)27-12-4-7-18-19(25(29)30)6-3-9-22(18)27;1-15(20-14-26-21-6-2-5-19(24(20)21)16-7-8-16)12-23(28)27-11-3-4-17-13-18(25(29)30)9-10-22(17)27;1-15(20-14-26-21-7-4-6-17(24(20)21)16-9-10-16)13-23(28)27-12-11-19(25(29)30)18-5-2-3-8-22(18)27;1-13(16-12-24-18-8-3-7-17(23)21(16)18)11-20(26)25-10-4-6-14-15(22(27)28)5-2-9-19(14)25/h1-3,5,7-8,11-12,16,18-20,24,29H,4,6,9-10,13-15H2,(H,32,33);2,5,7,9,11,13,15-18,22,27H,3-4,6,8,10,12,14H2,1H3,(H,30,31);4,6-7,15-19,23,27H,2-3,5,8-14H2,1H3,(H,30,31);2,5,8,14-16,18-19,22,26H,3-4,6-7,9-13H2,1H3,(H,29,30);2,5-6,14-18,22,26H,3-4,7-13H2,1H3,(H,29,30);4,6-7,14-16,18-19,22,26H,2-3,5,8-13H2,1H3,(H,29,30);3,7-8,12-15,19,24H,2,4-6,9-11H2,1H3,(H,27,28)
InChIKeyTWLJIMRFGNCUAC-UHFFFAOYSA-N
MW2950.26 g/mol
LogP36.52
Rot. Bonds35

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

1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;2-[1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid (PubChem CID 161005538) has the molecular formula C176H216ClFN14O21S and a molecular weight of 2950.26 g/mol. Its IUPAC name is 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;2-[1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;2-[1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
PubChem CID161005538
Molecular FormulaC176H216ClFN14O21S
Molecular Weight2950.26 g/mol
Exact Mass2947.57
IUPAC Name1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;2-[1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
SMILESCC(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1CCC(CC(=O)O)C2CCCCC21)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3cccs3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(Cl)c12.CC(CC(=O)N1CCCC2CC(C(=O)O)CCC21)c1c[nH]c2cccc(C3CC3)c12.O=C(O)C1CCCC2C1CCCN2C(=O)CC(c1ccccc1)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C27H29FN2O3.C26H30N2O3S.C26H34N2O3.3C25H32N2O3.C22H27ClN2O3/c28-22-11-5-12-23-26(22)21(16-29-23)20(17-7-2-1-3-8-17)15-25(31)30-14-6-10-18-19(27(32)33)9-4-13-24(18)30;1-16(20-15-27-21-9-2-7-19(25(20)21)23-11-5-13-32-23)14-24(29)28-12-4-8-17-18(26(30)31)6-3-10-22(17)28;1-16(21-15-27-22-7-4-6-20(26(21)22)17-9-10-17)13-24(29)28-12-11-18(14-25(30)31)19-5-2-3-8-23(19)28;1-15(20-14-26-21-8-2-5-17(24(20)21)16-10-11-16)13-23(28)27-12-4-7-18-19(25(29)30)6-3-9-22(18)27;1-15(20-14-26-21-6-2-5-19(24(20)21)16-7-8-16)12-23(28)27-11-3-4-17-13-18(25(29)30)9-10-22(17)27;1-15(20-14-26-21-7-4-6-17(24(20)21)16-9-10-16)13-23(28)27-12-11-19(25(29)30)18-5-2-3-8-22(18)27;1-13(16-12-24-18-8-3-7-17(23)21(16)18)11-20(26)25-10-4-6-14-15(22(27)28)5-2-9-19(14)25/h1-3,5,7-8,11-12,16,18-20,24,29H,4,6,9-10,13-15H2,(H,32,33);2,5,7,9,11,13,15-18,22,27H,3-4,6,8,10,12,14H2,1H3,(H,30,31);4,6-7,15-19,23,27H,2-3,5,8-14H2,1H3,(H,30,31);2,5,8,14-16,18-19,22,26H,3-4,6-7,9-13H2,1H3,(H,29,30);2,5-6,14-18,22,26H,3-4,7-13H2,1H3,(H,29,30);4,6-7,14-16,18-19,22,26H,2-3,5,8-13H2,1H3,(H,29,30);3,7-8,12-15,19,24H,2,4-6,9-11H2,1H3,(H,27,28)
InChIKeyTWLJIMRFGNCUAC-UHFFFAOYSA-N
XLogP36.52
TPSA513.80 Ų
H-Bond Donors14
H-Bond Acceptors15
Rotatable Bonds35
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002950.26
LogP ≤ 536.52
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1015

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;2-[1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?
The IUPAC name of 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;2-[1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid (CID 161005538) is 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;2-[1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid.
What is the SMILES notation for 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;2-[1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?
The canonical SMILES for 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;2-[1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid is CC(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1CCC(CC(=O)O)C2CCCCC21)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3cccs3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(C3CC3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(Cl)c12.CC(CC(=O)N1CCCC2CC(C(=O)O)CCC21)c1c[nH]c2cccc(C3CC3)c12.O=C(O)C1CCCC2C1CCCN2C(=O)CC(c1ccccc1)c1c[nH]c2cccc(F)c12.
What is the InChIKey of 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;2-[1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?
The InChIKey is TWLJIMRFGNCUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O3.C26H30N2O3S.C26H34N2O3.3C25H32N2O3.C22H27ClN2O3/c28-22-11-5-12-23-26(22)21(16-29-23)20(17-7-2-1-3-8-17)15-25(31)30-14-6-10-18-19(27(32)33)9-4-13-24(18)30;1-16(20-15-27-21-9-2-7-19(25(20)21)23-11-5-13-32-23)14-24(29)28-12-4-8-17-18(26(30)31)6-3-10-22(17)28;1-16(21-15-27-22-7-4-6-20(26(21)22)17-9-10-17)13-24(29)28-12-11-18(14-25(30)31)19-5-2-3-8-23(19)28;1-15(20-14-26-21-8-2-5-17(24(20)21)16-10-11-16)13-23(28)27-12-4-7-18-19(25(29)30)6-3-9-22(18)27;1-15(20-14-26-21-6-2-5-19(24(20)21)16-7-8-16)12-23(28)27-11-3-4-17-13-18(25(29)30)9-10-22(17)27;1-15(20-14-26-21-7-4-6-17(24(20)21)16-9-10-16)13-23(28)27-12-11-19(25(29)30)18-5-2-3-8-22(18)27;1-13(16-12-24-18-8-3-7-17(23)21(16)18)11-20(26)25-10-4-6-14-15(22(27)28)5-2-9-19(14)25/h1-3,5,7-8,11-12,16,18-20,24,29H,4,6,9-10,13-15H2,(H,32,33);2,5,7,9,11,13,15-18,22,27H,3-4,6,8,10,12,14H2,1H3,(H,30,31);4,6-7,15-19,23,27H,2-3,5,8-14H2,1H3,(H,30,31);2,5,8,14-16,18-19,22,26H,3-4,6-7,9-13H2,1H3,(H,29,30);2,5-6,14-18,22,26H,3-4,7-13H2,1H3,(H,29,30);4,6-7,14-16,18-19,22,26H,2-3,5,8-13H2,1H3,(H,29,30);3,7-8,12-15,19,24H,2,4-6,9-11H2,1H3,(H,27,28).
What are the key properties of 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;2-[1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?
1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;2-[1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid has a molecular weight of 2950.26 g/mol, XLogP of 36.52, 35 rotatable bonds, 14 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;2-[1-[3-(4-cyclopropyl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-yl]acetic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 161005538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).