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)pentanoyl]-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-(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-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[4-methyl-3-(4-methylbenzotriazol-1-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid

C149H177Cl3F2N14O18S — CID 160926483

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)pentanoyl]-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-(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-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[4-methyl-3-(4-methylbenzotriazol-1-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid
SMILESCC(C)C(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cc(Cl)ccc12.CCC(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cccc(Cl)c12.Cc1cccc2c1nnn2C(CC(=O)N1CCC(C(=O)O)C2CCCCC21)C(C)C.O=C(O)C1CCC2C(CCCN2C(=O)CC(c2ccccc2)c2c[nH]c3cccc(F)c23)C1.O=C(O)C1CCCC2C1CCCN2C(=O)CC(c1ccccc1)c1c[nH]c2cccc(F)c12.O=C(O)C1CCN(C(=O)CC(c2cccs2)c2c[nH]c3cccc(Cl)c23)C2CCCCC12
InChIInChI=1S/2C27H29FN2O3.C25H27ClN2O3S.C24H31ClN2O3.C23H29ClN2O3.C23H32N4O3/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;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;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;1-14(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;1-2-14(17-13-25-19-8-5-7-18(24)22(17)19)12-21(27)26-11-10-16(23(28)29)15-6-3-4-9-20(15)26;1-14(2)20(27-19-10-6-7-15(3)22(19)24-25-27)13-21(28)26-12-11-17(23(29)30)16-8-4-5-9-18(16)26/h1-3,5,7-8,11-12,16,18-20,24,29H,4,6,9-10,13-15H2,(H,32,33);1-4,6-7,9-10,16,18-20,24,29H,5,8,11-15H2,(H,32,33);3-4,6-7,9,12,14-17,21,27H,1-2,5,8,10-11,13H2,(H,30,31);7-8,11,13-14,17-19,22,26H,3-6,9-10,12H2,1-2H3,(H,29,30);5,7-8,13-16,20,25H,2-4,6,9-12H2,1H3,(H,28,29);6-7,10,14,16-18,20H,4-5,8-9,11-13H2,1-3H3,(H,29,30)
InChIKeySSSBGWYYYQNHAI-UHFFFAOYSA-N
MW2628.56 g/mol
LogP31.00
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)pentanoyl]-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-(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-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[4-methyl-3-(4-methylbenzotriazol-1-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-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)pentanoyl]-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-(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-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[4-methyl-3-(4-methylbenzotriazol-1-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid (PubChem CID 160926483) has the molecular formula C149H177Cl3F2N14O18S and a molecular weight of 2628.56 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)pentanoyl]-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-(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-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[4-methyl-3-(4-methylbenzotriazol-1-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-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)pentanoyl]-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-(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-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[4-methyl-3-(4-methylbenzotriazol-1-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid
PubChem CID160926483
Molecular FormulaC149H177Cl3F2N14O18S
Molecular Weight2628.56 g/mol
Exact Mass2625.21
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)pentanoyl]-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-(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-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[4-methyl-3-(4-methylbenzotriazol-1-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid
SMILESCC(C)C(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cc(Cl)ccc12.CCC(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cccc(Cl)c12.Cc1cccc2c1nnn2C(CC(=O)N1CCC(C(=O)O)C2CCCCC21)C(C)C.O=C(O)C1CCC2C(CCCN2C(=O)CC(c2ccccc2)c2c[nH]c3cccc(F)c23)C1.O=C(O)C1CCCC2C1CCCN2C(=O)CC(c1ccccc1)c1c[nH]c2cccc(F)c12.O=C(O)C1CCN(C(=O)CC(c2cccs2)c2c[nH]c3cccc(Cl)c23)C2CCCCC12
InChIInChI=1S/2C27H29FN2O3.C25H27ClN2O3S.C24H31ClN2O3.C23H29ClN2O3.C23H32N4O3/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;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;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;1-14(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;1-2-14(17-13-25-19-8-5-7-18(24)22(17)19)12-21(27)26-11-10-16(23(28)29)15-6-3-4-9-20(15)26;1-14(2)20(27-19-10-6-7-15(3)22(19)24-25-27)13-21(28)26-12-11-17(23(29)30)16-8-4-5-9-18(16)26/h1-3,5,7-8,11-12,16,18-20,24,29H,4,6,9-10,13-15H2,(H,32,33);1-4,6-7,9-10,16,18-20,24,29H,5,8,11-15H2,(H,32,33);3-4,6-7,9,12,14-17,21,27H,1-2,5,8,10-11,13H2,(H,30,31);7-8,11,13-14,17-19,22,26H,3-6,9-10,12H2,1-2H3,(H,29,30);5,7-8,13-16,20,25H,2-4,6,9-12H2,1H3,(H,28,29);6-7,10,14,16-18,20H,4-5,8-9,11-13H2,1-3H3,(H,29,30)
InChIKeySSSBGWYYYQNHAI-UHFFFAOYSA-N
XLogP31.00
TPSA455.32 Ų
H-Bond Donors11
H-Bond Acceptors16
Rotatable Bonds30
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002628.56
LogP ≤ 531.00
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1016

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)pentanoyl]-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-(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-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[4-methyl-3-(4-methylbenzotriazol-1-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-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)pentanoyl]-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-(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-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[4-methyl-3-(4-methylbenzotriazol-1-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-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)pentanoyl]-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-(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-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[4-methyl-3-(4-methylbenzotriazol-1-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid (CID 160926483) 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)pentanoyl]-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-(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-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[4-methyl-3-(4-methylbenzotriazol-1-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-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)pentanoyl]-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-(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-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[4-methyl-3-(4-methylbenzotriazol-1-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-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)pentanoyl]-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-(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-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[4-methyl-3-(4-methylbenzotriazol-1-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]c2cc(Cl)ccc12.CCC(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2cccc(Cl)c12.Cc1cccc2c1nnn2C(CC(=O)N1CCC(C(=O)O)C2CCCCC21)C(C)C.O=C(O)C1CCC2C(CCCN2C(=O)CC(c2ccccc2)c2c[nH]c3cccc(F)c23)C1.O=C(O)C1CCCC2C1CCCN2C(=O)CC(c1ccccc1)c1c[nH]c2cccc(F)c12.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)pentanoyl]-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-(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-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[4-methyl-3-(4-methylbenzotriazol-1-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid?
The InChIKey is SSSBGWYYYQNHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H29FN2O3.C25H27ClN2O3S.C24H31ClN2O3.C23H29ClN2O3.C23H32N4O3/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;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;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;1-14(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;1-2-14(17-13-25-19-8-5-7-18(24)22(17)19)12-21(27)26-11-10-16(23(28)29)15-6-3-4-9-20(15)26;1-14(2)20(27-19-10-6-7-15(3)22(19)24-25-27)13-21(28)26-12-11-17(23(29)30)16-8-4-5-9-18(16)26/h1-3,5,7-8,11-12,16,18-20,24,29H,4,6,9-10,13-15H2,(H,32,33);1-4,6-7,9-10,16,18-20,24,29H,5,8,11-15H2,(H,32,33);3-4,6-7,9,12,14-17,21,27H,1-2,5,8,10-11,13H2,(H,30,31);7-8,11,13-14,17-19,22,26H,3-6,9-10,12H2,1-2H3,(H,29,30);5,7-8,13-16,20,25H,2-4,6,9-12H2,1H3,(H,28,29);6-7,10,14,16-18,20H,4-5,8-9,11-13H2,1-3H3,(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)pentanoyl]-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-(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-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[4-methyl-3-(4-methylbenzotriazol-1-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-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)pentanoyl]-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-(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-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[4-methyl-3-(4-methylbenzotriazol-1-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid has a molecular weight of 2628.56 g/mol, XLogP of 31.00, 30 rotatable bonds, 11 hydrogen bond donors, and 16 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)pentanoyl]-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-(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-fluoro-1H-indol-3-yl)-3-phenylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-6-carboxylic acid;1-[4-methyl-3-(4-methylbenzotriazol-1-yl)pentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid is sourced from PubChem (CID 160926483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).