1-[3-[4-(5-cyanofuran-2-yl)-1H-indol-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-[2-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(1-methyl-4-thiophen-2-ylindazol-3-yl)propanoyl]-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

C132H152F2N14O18S2 — CID 160695483

About 1-[3-[4-(5-cyanofuran-2-yl)-1H-indol-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-[2-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(1-methyl-4-thiophen-2-ylindazol-3-yl)propanoyl]-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-(5-cyanofuran-2-yl)-1H-indol-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-[2-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(1-methyl-4-thiophen-2-ylindazol-3-yl)propanoyl]-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 160695483) has the molecular formula C132H152F2N14O18S2 and a molecular weight of 2324.88 g/mol. Its IUPAC name is 1-[3-[4-(5-cyanofuran-2-yl)-1H-indol-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-[2-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(1-methyl-4-thiophen-2-ylindazol-3-yl)propanoyl]-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-(5-cyanofuran-2-yl)-1H-indol-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-[2-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(1-methyl-4-thiophen-2-ylindazol-3-yl)propanoyl]-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: 160695483
• Molecular Formula: C132H152F2N14O18S2
• Molecular Weight: 2324.88 g/mol
• Exact Mass: 2323.08
• IUPAC Name: 1-[3-[4-(5-cyanofuran-2-yl)-1H-indol-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-[2-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(1-methyl-4-thiophen-2-ylindazol-3-yl)propanoyl]-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(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccc(C#N)o3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3nccs3)c12.CCn1cc(C(C)CC(=O)N2CCCC3C(C(=O)O)CCCC32)c2c(-c3ccc(F)o3)cccc21.Cn1nc(C(C)(C)C(=O)N2CCCC3C(C(=O)O)CCCC32)c2c(-c3ccc(F)o3)cccc21.Cn1nc(C(C)(C)C(=O)N2CCCC3C(C(=O)O)CCCC32)c2c(-c3cccs3)cccc21
• InChI: InChI=1S/C28H33FN2O4.C27H29N3O4.C26H30FN3O4.C26H31N3O3S.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;1-16(13-25(31)30-12-4-7-18-19(27(32)33)5-3-9-23(18)30)21-15-29-22-8-2-6-20(26(21)22)24-11-10-17(14-28)34-24;1-26(2,25(33)30-14-6-9-15-16(24(31)32)7-4-10-18(15)30)23-22-17(20-12-13-21(27)34-20)8-5-11-19(22)29(3)28-23;1-26(2,25(32)29-14-6-10-16-17(24(30)31)8-4-11-19(16)29)23-22-18(21-13-7-15-33-21)9-5-12-20(22)28(3)27-23;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);2,6,8,10-11,15-16,18-19,23,29H,3-5,7,9,12-13H2,1H3,(H,32,33);5,8,11-13,15-16,18H,4,6-7,9-10,14H2,1-3H3,(H,31,32);5,7,9,12-13,15-17,19H,4,6,8,10-11,14H2,1-3H3,(H,30,31);2,6,8,10,12,14-17,21,27H,3-5,7,9,11,13H2,1H3,(H,30,31)
• InChIKey: RPYCGCVZSMJVRB-UHFFFAOYSA-N
• XLogP: 26.42
• TPSA: 436.30 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2324.88
LogP ≤ 5	26.42
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(5-cyanofuran-2-yl)-1H-indol-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-[2-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(1-methyl-4-thiophen-2-ylindazol-3-yl)propanoyl]-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-(5-cyanofuran-2-yl)-1H-indol-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-[2-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(1-methyl-4-thiophen-2-ylindazol-3-yl)propanoyl]-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 160695483) is 1-[3-[4-(5-cyanofuran-2-yl)-1H-indol-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-[2-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(1-methyl-4-thiophen-2-ylindazol-3-yl)propanoyl]-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-(5-cyanofuran-2-yl)-1H-indol-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-[2-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(1-methyl-4-thiophen-2-ylindazol-3-yl)propanoyl]-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-(5-cyanofuran-2-yl)-1H-indol-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-[2-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(1-methyl-4-thiophen-2-ylindazol-3-yl)propanoyl]-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(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3ccc(C#N)o3)c12.CC(CC(=O)N1CCCC2C(C(=O)O)CCCC21)c1c[nH]c2cccc(-c3nccs3)c12.CCn1cc(C(C)CC(=O)N2CCCC3C(C(=O)O)CCCC32)c2c(-c3ccc(F)o3)cccc21.Cn1nc(C(C)(C)C(=O)N2CCCC3C(C(=O)O)CCCC32)c2c(-c3ccc(F)o3)cccc21.Cn1nc(C(C)(C)C(=O)N2CCCC3C(C(=O)O)CCCC32)c2c(-c3cccs3)cccc21.

What is the InChIKey of 1-[3-[4-(5-cyanofuran-2-yl)-1H-indol-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-[2-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(1-methyl-4-thiophen-2-ylindazol-3-yl)propanoyl]-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 RPYCGCVZSMJVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN2O4.C27H29N3O4.C26H30FN3O4.C26H31N3O3S.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;1-16(13-25(31)30-12-4-7-18-19(27(32)33)5-3-9-23(18)30)21-15-29-22-8-2-6-20(26(21)22)24-11-10-17(14-28)34-24;1-26(2,25(33)30-14-6-9-15-16(24(31)32)7-4-10-18(15)30)23-22-17(20-12-13-21(27)34-20)8-5-11-19(22)29(3)28-23;1-26(2,25(32)29-14-6-10-16-17(24(30)31)8-4-11-19(16)29)23-22-18(21-13-7-15-33-21)9-5-12-20(22)28(3)27-23;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);2,6,8,10-11,15-16,18-19,23,29H,3-5,7,9,12-13H2,1H3,(H,32,33);5,8,11-13,15-16,18H,4,6-7,9-10,14H2,1-3H3,(H,31,32);5,7,9,12-13,15-17,19H,4,6,8,10-11,14H2,1-3H3,(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-(5-cyanofuran-2-yl)-1H-indol-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-[2-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(1-methyl-4-thiophen-2-ylindazol-3-yl)propanoyl]-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-(5-cyanofuran-2-yl)-1H-indol-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-[2-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(1-methyl-4-thiophen-2-ylindazol-3-yl)propanoyl]-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 2324.88 g/mol, XLogP of 26.42, 24 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-(5-cyanofuran-2-yl)-1H-indol-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-[2-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]-2-methylpropanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-methyl-2-(1-methyl-4-thiophen-2-ylindazol-3-yl)propanoyl]-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 160695483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).