1-[3-(4-cyclopropyl-5-fluoro-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[1-ethyl-4-(5-fluorofuran-2-yl)indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-propan-2-yloxyindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(1,3-thiazol-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid

C132H163F2N11O17S2 — CID 160692717

About 1-[3-(4-cyclopropyl-5-fluoro-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[1-ethyl-4-(5-fluorofuran-2-yl)indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-propan-2-yloxyindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(1,3-thiazol-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid

1-[3-(4-cyclopropyl-5-fluoro-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[1-ethyl-4-(5-fluorofuran-2-yl)indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-propan-2-yloxyindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(1,3-thiazol-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid (PubChem CID 160692717) has the molecular formula C132H163F2N11O17S2 and a molecular weight of 2277.95 g/mol. Its IUPAC name is 1-[3-(4-cyclopropyl-5-fluoro-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[1-ethyl-4-(5-fluorofuran-2-yl)indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-propan-2-yloxyindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(1,3-thiazol-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

• Compound Name: 1-[3-(4-cyclopropyl-5-fluoro-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[1-ethyl-4-(5-fluorofuran-2-yl)indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-propan-2-yloxyindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(1,3-thiazol-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
• PubChem CID: 160692717
• Molecular Formula: C132H163F2N11O17S2
• Molecular Weight: 2277.95 g/mol
• Exact Mass: 2276.16
• IUPAC Name: 1-[3-(4-cyclopropyl-5-fluoro-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[1-ethyl-4-(5-fluorofuran-2-yl)indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-propan-2-yloxyindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(1,3-thiazol-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
• SMILES: CC(C)Oc1cccc2c1c(C(C)CC(=O)N1CCCC3C(C(=O)O)CCCC31)cn2C.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3nccs3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1cn(C)c2ccc(F)c(C3CC3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1cn(C)c2cccc(-c3cccs3)c12.CCn1cc(C(C)CC(=O)N2CCCC3C(C(=O)O)CCCC32)c2c(-c3ccc(F)o3)cccc21
• InChI: InChI=1S/C28H33FN2O4.C27H32N2O3S.C26H33FN2O3.C26H36N2O4.C25H29N3O3S/c1-3-30-16-21(27-20(8-5-11-23(27)30)24-12-13-25(29)35-24)17(2)15-26(32)31-14-6-9-18-19(28(33)34)7-4-10-22(18)31;1-17(15-25(30)29-13-5-9-18-19(27(31)32)7-3-10-22(18)29)21-16-28(2)23-11-4-8-20(26(21)23)24-12-6-14-33-24;1-15(19-14-28(2)22-11-10-20(27)24(25(19)22)16-8-9-16)13-23(30)29-12-4-6-17-18(26(31)32)5-3-7-21(17)29;1-16(2)32-23-12-6-11-22-25(23)20(15-27(22)4)17(3)14-24(29)28-13-7-9-18-19(26(30)31)8-5-10-21(18)28;1-15(19-14-27-20-8-2-6-18(23(19)20)24-26-10-12-32-24)13-22(29)28-11-4-7-16-17(25(30)31)5-3-9-21(16)28/h5,8,11-13,16-19,22H,3-4,6-7,9-10,14-15H2,1-2H3,(H,33,34);4,6,8,11-12,14,16-19,22H,3,5,7,9-10,13,15H2,1-2H3,(H,31,32);10-11,14-18,21H,3-9,12-13H2,1-2H3,(H,31,32);6,11-12,15-19,21H,5,7-10,13-14H2,1-4H3,(H,30,31);2,6,8,10,12,14-17,21,27H,3-5,7,9,11,13H2,1H3,(H,30,31)
• InChIKey: RPPNLCHCWKNISO-UHFFFAOYSA-N
• XLogP: 27.35
• TPSA: 358.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 27
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2277.95
LogP ≤ 5	27.35
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-cyclopropyl-5-fluoro-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[1-ethyl-4-(5-fluorofuran-2-yl)indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-propan-2-yloxyindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(1,3-thiazol-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-cyclopropyl-5-fluoro-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[1-ethyl-4-(5-fluorofuran-2-yl)indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-propan-2-yloxyindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(1,3-thiazol-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid (CID 160692717) is 1-[3-(4-cyclopropyl-5-fluoro-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[1-ethyl-4-(5-fluorofuran-2-yl)indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-propan-2-yloxyindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(1,3-thiazol-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-cyclopropyl-5-fluoro-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[1-ethyl-4-(5-fluorofuran-2-yl)indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-propan-2-yloxyindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(1,3-thiazol-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-cyclopropyl-5-fluoro-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[1-ethyl-4-(5-fluorofuran-2-yl)indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-propan-2-yloxyindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(1,3-thiazol-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid is CC(C)Oc1cccc2c1c(C(C)CC(=O)N1CCCC3C(C(=O)O)CCCC31)cn2C.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3nccs3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1cn(C)c2ccc(F)c(C3CC3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1cn(C)c2cccc(-c3cccs3)c12.CCn1cc(C(C)CC(=O)N2CCCC3C(C(=O)O)CCCC32)c2c(-c3ccc(F)o3)cccc21.

What is the InChIKey of 1-[3-(4-cyclopropyl-5-fluoro-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[1-ethyl-4-(5-fluorofuran-2-yl)indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-propan-2-yloxyindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(1,3-thiazol-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?

The InChIKey is RPPNLCHCWKNISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN2O4.C27H32N2O3S.C26H33FN2O3.C26H36N2O4.C25H29N3O3S/c1-3-30-16-21(27-20(8-5-11-23(27)30)24-12-13-25(29)35-24)17(2)15-26(32)31-14-6-9-18-19(28(33)34)7-4-10-22(18)31;1-17(15-25(30)29-13-5-9-18-19(27(31)32)7-3-10-22(18)29)21-16-28(2)23-11-4-8-20(26(21)23)24-12-6-14-33-24;1-15(19-14-28(2)22-11-10-20(27)24(25(19)22)16-8-9-16)13-23(30)29-12-4-6-17-18(26(31)32)5-3-7-21(17)29;1-16(2)32-23-12-6-11-22-25(23)20(15-27(22)4)17(3)14-24(29)28-13-7-9-18-19(26(30)31)8-5-10-21(18)28;1-15(19-14-27-20-8-2-6-18(23(19)20)24-26-10-12-32-24)13-22(29)28-11-4-7-16-17(25(30)31)5-3-9-21(16)28/h5,8,11-13,16-19,22H,3-4,6-7,9-10,14-15H2,1-2H3,(H,33,34);4,6,8,11-12,14,16-19,22H,3,5,7,9-10,13,15H2,1-2H3,(H,31,32);10-11,14-18,21H,3-9,12-13H2,1-2H3,(H,31,32);6,11-12,15-19,21H,5,7-10,13-14H2,1-4H3,(H,30,31);2,6,8,10,12,14-17,21,27H,3-5,7,9,11,13H2,1H3,(H,30,31).

What are the key properties of 1-[3-(4-cyclopropyl-5-fluoro-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[1-ethyl-4-(5-fluorofuran-2-yl)indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-propan-2-yloxyindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(1,3-thiazol-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?

1-[3-(4-cyclopropyl-5-fluoro-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[1-ethyl-4-(5-fluorofuran-2-yl)indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-propan-2-yloxyindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(1,3-thiazol-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 2277.95 g/mol, XLogP of 27.35, 27 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(4-cyclopropyl-5-fluoro-1-methylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[1-ethyl-4-(5-fluorofuran-2-yl)indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-propan-2-yloxyindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(1,3-thiazol-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 160692717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).