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

C149H166Cl2F4N12O18S2 — CID 157487312

IUPAC1-[3-(1,3-benzothiazol-2-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid
SMILESCC(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cccc(Cl)c12.CC(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1nc2ccccc2s1.O=C(O)C1CCN(C(=O)CC(c2ccc(F)cc2)c2c[nH]c3cccc(F)c23)C2CCCCC12.O=C(O)C1CCN(C(=O)CC(c2ccccc2)c2c[nH]c3cc(F)ccc23)C2CCCCC12.O=C(O)C1CCN(C(=O)CC(c2ccccc2)c2c[nH]c3cccc(Cl)c23)C2CCCCC12.O=C(O)C1CCN(C(=O)CC(c2cccs2)c2c[nH]c3cccc(F)c23)C2CCCCC12
InChIInChI=1S/C27H29ClN2O3.C27H28F2N2O3.C27H29FN2O3.C25H27FN2O3S.C22H27ClN2O3.C21H26N2O3S/c28-22-10-6-11-23-26(22)21(16-29-23)20(17-7-2-1-3-8-17)15-25(31)30-14-13-19(27(32)33)18-9-4-5-12-24(18)30;28-17-10-8-16(9-11-17)20(21-15-30-23-6-3-5-22(29)26(21)23)14-25(32)31-13-12-19(27(33)34)18-4-1-2-7-24(18)31;28-18-10-11-19-23(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;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;1-13(16-12-24-18-7-4-6-17(23)21(16)18)11-20(26)25-10-9-15(22(27)28)14-5-2-3-8-19(14)25;1-13(20-22-16-7-3-5-9-18(16)27-20)12-19(24)23-11-10-15(21(25)26)14-6-2-4-8-17(14)23/h1-3,6-8,10-11,16,18-20,24,29H,4-5,9,12-15H2,(H,32,33);3,5-6,8-11,15,18-20,24,30H,1-2,4,7,12-14H2,(H,33,34);1-3,6-7,10-11,14,16,20-22,25,29H,4-5,8-9,12-13,15H2,(H,32,33);3-4,6-7,9,12,14-17,21,27H,1-2,5,8,10-11,13H2,(H,30,31);4,6-7,12-15,19,24H,2-3,5,8-11H2,1H3,(H,27,28);3,5,7,9,13-15,17H,2,4,6,8,10-12H2,1H3,(H,25,26)
InChIKeyBWWFWVLZLLWQBI-UHFFFAOYSA-N
MW2624.06 g/mol
LogP31.09
Rot. Bonds28

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

1-[3-(1,3-benzothiazol-2-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid (PubChem CID 157487312) has the molecular formula C149H166Cl2F4N12O18S2 and a molecular weight of 2624.06 g/mol. Its IUPAC name is 1-[3-(1,3-benzothiazol-2-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(1,3-benzothiazol-2-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid
PubChem CID157487312
Molecular FormulaC149H166Cl2F4N12O18S2
Molecular Weight2624.06 g/mol
Exact Mass2621.12
IUPAC Name1-[3-(1,3-benzothiazol-2-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid
SMILESCC(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cccc(Cl)c12.CC(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1nc2ccccc2s1.O=C(O)C1CCN(C(=O)CC(c2ccc(F)cc2)c2c[nH]c3cccc(F)c23)C2CCCCC12.O=C(O)C1CCN(C(=O)CC(c2ccccc2)c2c[nH]c3cc(F)ccc23)C2CCCCC12.O=C(O)C1CCN(C(=O)CC(c2ccccc2)c2c[nH]c3cccc(Cl)c23)C2CCCCC12.O=C(O)C1CCN(C(=O)CC(c2cccs2)c2c[nH]c3cccc(F)c23)C2CCCCC12
InChIInChI=1S/C27H29ClN2O3.C27H28F2N2O3.C27H29FN2O3.C25H27FN2O3S.C22H27ClN2O3.C21H26N2O3S/c28-22-10-6-11-23-26(22)21(16-29-23)20(17-7-2-1-3-8-17)15-25(31)30-14-13-19(27(32)33)18-9-4-5-12-24(18)30;28-17-10-8-16(9-11-17)20(21-15-30-23-6-3-5-22(29)26(21)23)14-25(32)31-13-12-19(27(33)34)18-4-1-2-7-24(18)31;28-18-10-11-19-23(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;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;1-13(16-12-24-18-7-4-6-17(23)21(16)18)11-20(26)25-10-9-15(22(27)28)14-5-2-3-8-19(14)25;1-13(20-22-16-7-3-5-9-18(16)27-20)12-19(24)23-11-10-15(21(25)26)14-6-2-4-8-17(14)23/h1-3,6-8,10-11,16,18-20,24,29H,4-5,9,12-15H2,(H,32,33);3,5-6,8-11,15,18-20,24,30H,1-2,4,7,12-14H2,(H,33,34);1-3,6-7,10-11,14,16,20-22,25,29H,4-5,8-9,12-13,15H2,(H,32,33);3-4,6-7,9,12,14-17,21,27H,1-2,5,8,10-11,13H2,(H,30,31);4,6-7,12-15,19,24H,2-3,5,8-11H2,1H3,(H,27,28);3,5,7,9,13-15,17H,2,4,6,8,10-12H2,1H3,(H,25,26)
InChIKeyBWWFWVLZLLWQBI-UHFFFAOYSA-N
XLogP31.09
TPSA437.50 Ų
H-Bond Donors11
H-Bond Acceptors15
Rotatable Bonds28
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002624.06
LogP ≤ 531.09
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1015

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-benzothiazol-2-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid?
The IUPAC name of 1-[3-(1,3-benzothiazol-2-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid (CID 157487312) is 1-[3-(1,3-benzothiazol-2-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid.
What is the SMILES notation for 1-[3-(1,3-benzothiazol-2-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid?
The canonical SMILES for 1-[3-(1,3-benzothiazol-2-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid is CC(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cccc(Cl)c12.CC(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1nc2ccccc2s1.O=C(O)C1CCN(C(=O)CC(c2ccc(F)cc2)c2c[nH]c3cccc(F)c23)C2CCCCC12.O=C(O)C1CCN(C(=O)CC(c2ccccc2)c2c[nH]c3cc(F)ccc23)C2CCCCC12.O=C(O)C1CCN(C(=O)CC(c2ccccc2)c2c[nH]c3cccc(Cl)c23)C2CCCCC12.O=C(O)C1CCN(C(=O)CC(c2cccs2)c2c[nH]c3cccc(F)c23)C2CCCCC12.
What is the InChIKey of 1-[3-(1,3-benzothiazol-2-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid?
The InChIKey is BWWFWVLZLLWQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O3.C27H28F2N2O3.C27H29FN2O3.C25H27FN2O3S.C22H27ClN2O3.C21H26N2O3S/c28-22-10-6-11-23-26(22)21(16-29-23)20(17-7-2-1-3-8-17)15-25(31)30-14-13-19(27(32)33)18-9-4-5-12-24(18)30;28-17-10-8-16(9-11-17)20(21-15-30-23-6-3-5-22(29)26(21)23)14-25(32)31-13-12-19(27(33)34)18-4-1-2-7-24(18)31;28-18-10-11-19-23(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;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;1-13(16-12-24-18-7-4-6-17(23)21(16)18)11-20(26)25-10-9-15(22(27)28)14-5-2-3-8-19(14)25;1-13(20-22-16-7-3-5-9-18(16)27-20)12-19(24)23-11-10-15(21(25)26)14-6-2-4-8-17(14)23/h1-3,6-8,10-11,16,18-20,24,29H,4-5,9,12-15H2,(H,32,33);3,5-6,8-11,15,18-20,24,30H,1-2,4,7,12-14H2,(H,33,34);1-3,6-7,10-11,14,16,20-22,25,29H,4-5,8-9,12-13,15H2,(H,32,33);3-4,6-7,9,12,14-17,21,27H,1-2,5,8,10-11,13H2,(H,30,31);4,6-7,12-15,19,24H,2-3,5,8-11H2,1H3,(H,27,28);3,5,7,9,13-15,17H,2,4,6,8,10-12H2,1H3,(H,25,26).
What are the key properties of 1-[3-(1,3-benzothiazol-2-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid?
1-[3-(1,3-benzothiazol-2-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid has a molecular weight of 2624.06 g/mol, XLogP of 31.09, 28 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-benzothiazol-2-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-chloro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-(4-fluorophenyl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(6-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(4-fluoro-1H-indol-3-yl)-3-thiophen-2-ylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid is sourced from PubChem (CID 157487312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).