1-[2-(4-cyclopropyl-1H-indol-3-yl)cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid

C152H166F4N12O20S3 — CID 161157028

About 1-[2-(4-cyclopropyl-1H-indol-3-yl)cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid

1-[2-(4-cyclopropyl-1H-indol-3-yl)cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid (PubChem CID 161157028) has the molecular formula C152H166F4N12O20S3 and a molecular weight of 2653.26 g/mol. Its IUPAC name is 1-[2-(4-cyclopropyl-1H-indol-3-yl)cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid.

Molecular Properties

• Compound Name: 1-[2-(4-cyclopropyl-1H-indol-3-yl)cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
• PubChem CID: 161157028
• Molecular Formula: C152H166F4N12O20S3
• Molecular Weight: 2653.26 g/mol
• Exact Mass: 2651.14
• IUPAC Name: 1-[2-(4-cyclopropyl-1H-indol-3-yl)cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
• SMILES: O=C(O)C1CCCC2C1CCCN2C(=O)C1CC1c1c[nH]c2cccc(-c3ccc(F)o3)c12.O=C(O)C1CCCC2C1CCCN2C(=O)C1CC1c1c[nH]c2cccc(-c3ccc(F)s3)c12.O=C(O)C1CCCC2C1CCCN2C(=O)C1CC1c1c[nH]c2cccc(C3CC3)c12.O=C(O)C1CCCC2C1CCCN2C(=O)CCc1c[nH]c2cccc(-c3ccc(F)o3)c12.O=C(O)C1CCCC2C1CCCN2C(=O)CCc1c[nH]c2cccc(-c3ccc(F)s3)c12.O=C(O)C1CCCC2C1CCCN2C(=O)CCc1c[nH]c2cccc(-c3cccs3)c12
• InChI: InChI=1S/C26H27FN2O4.C26H27FN2O3S.C25H27FN2O4.C25H27FN2O3S.C25H28N2O3S.C25H30N2O3/c2*27-23-10-9-22(33-23)16-5-1-7-20-24(16)19(13-28-20)17-12-18(17)25(30)29-11-3-6-14-15(26(31)32)4-2-8-21(14)29;2*26-22-11-10-21(32-22)18-5-1-7-19-24(18)15(14-27-19)9-12-23(29)28-13-3-6-16-17(25(30)31)4-2-8-20(16)28;28-23(27-13-3-7-17-18(25(29)30)5-2-9-21(17)27)12-11-16-15-26-20-8-1-6-19(24(16)20)22-10-4-14-31-22;28-24(27-11-3-6-16-17(25(29)30)5-2-8-22(16)27)19-12-18(19)20-13-26-21-7-1-4-15(23(20)21)14-9-10-14/h2*1,5,7,9-10,13-15,17-18,21,28H,2-4,6,8,11-12H2,(H,31,32);2*1,5,7,10-11,14,16-17,20,27H,2-4,6,8-9,12-13H2,(H,30,31);1,4,6,8,10,14-15,17-18,21,26H,2-3,5,7,9,11-13H2,(H,29,30);1,4,7,13-14,16-19,22,26H,2-3,5-6,8-12H2,(H,29,30)
• InChIKey: UPKTXHOWCALYNW-UHFFFAOYSA-N
• XLogP: 31.21
• TPSA: 466.68 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 17
• Rotatable Bonds: 27
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2653.26
LogP ≤ 5	31.21
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclopropyl-1H-indol-3-yl)cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?

The IUPAC name of 1-[2-(4-cyclopropyl-1H-indol-3-yl)cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid (CID 161157028) is 1-[2-(4-cyclopropyl-1H-indol-3-yl)cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid.

What is the SMILES notation for 1-[2-(4-cyclopropyl-1H-indol-3-yl)cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?

The canonical SMILES for 1-[2-(4-cyclopropyl-1H-indol-3-yl)cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid is O=C(O)C1CCCC2C1CCCN2C(=O)C1CC1c1c[nH]c2cccc(-c3ccc(F)o3)c12.O=C(O)C1CCCC2C1CCCN2C(=O)C1CC1c1c[nH]c2cccc(-c3ccc(F)s3)c12.O=C(O)C1CCCC2C1CCCN2C(=O)C1CC1c1c[nH]c2cccc(C3CC3)c12.O=C(O)C1CCCC2C1CCCN2C(=O)CCc1c[nH]c2cccc(-c3ccc(F)o3)c12.O=C(O)C1CCCC2C1CCCN2C(=O)CCc1c[nH]c2cccc(-c3ccc(F)s3)c12.O=C(O)C1CCCC2C1CCCN2C(=O)CCc1c[nH]c2cccc(-c3cccs3)c12.

What is the InChIKey of 1-[2-(4-cyclopropyl-1H-indol-3-yl)cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?

The InChIKey is UPKTXHOWCALYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O4.C26H27FN2O3S.C25H27FN2O4.C25H27FN2O3S.C25H28N2O3S.C25H30N2O3/c2*27-23-10-9-22(33-23)16-5-1-7-20-24(16)19(13-28-20)17-12-18(17)25(30)29-11-3-6-14-15(26(31)32)4-2-8-21(14)29;2*26-22-11-10-21(32-22)18-5-1-7-19-24(18)15(14-27-19)9-12-23(29)28-13-3-6-16-17(25(30)31)4-2-8-20(16)28;28-23(27-13-3-7-17-18(25(29)30)5-2-9-21(17)27)12-11-16-15-26-20-8-1-6-19(24(16)20)22-10-4-14-31-22;28-24(27-11-3-6-16-17(25(29)30)5-2-8-22(16)27)19-12-18(19)20-13-26-21-7-1-4-15(23(20)21)14-9-10-14/h2*1,5,7,9-10,13-15,17-18,21,28H,2-4,6,8,11-12H2,(H,31,32);2*1,5,7,10-11,14,16-17,20,27H,2-4,6,8-9,12-13H2,(H,30,31);1,4,6,8,10,14-15,17-18,21,26H,2-3,5,7,9,11-13H2,(H,29,30);1,4,7,13-14,16-19,22,26H,2-3,5-6,8-12H2,(H,29,30).

What are the key properties of 1-[2-(4-cyclopropyl-1H-indol-3-yl)cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid?

1-[2-(4-cyclopropyl-1H-indol-3-yl)cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid has a molecular weight of 2653.26 g/mol, XLogP of 31.21, 27 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-cyclopropyl-1H-indol-3-yl)cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[2-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]cyclopropanecarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-3-yl]propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-1H-indol-3-yl)propanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid is sourced from PubChem (CID 161157028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).