sodium;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)butan-1-one;1-[3-(1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one

C134H172F3N12NaO14 — CID 160629858

About sodium;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)butan-1-one;1-[3-(1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one

sodium;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)butan-1-one;1-[3-(1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one (PubChem CID 160629858) has the molecular formula C134H172F3N12NaO14 and a molecular weight of 2254.90 g/mol. Its IUPAC name is sodium;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)butan-1-one;1-[3-(1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one.

Molecular Properties

• Compound Name: sodium;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)butan-1-one;1-[3-(1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
• PubChem CID: 160629858
• Molecular Formula: C134H172F3N12NaO14
• Molecular Weight: 2254.90 g/mol
• Exact Mass: 2253.30
• IUPAC Name: sodium;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)butan-1-one;1-[3-(1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
• SMILES: CC(C)C(CC(=O)N1CCC(=O)C2CCCCC21)c1c[nH]c2ccccc12.CC(C)C(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2ccccc12.CC(C)C(CC(=O)N1CCC(C(=O)[O-])C2CCCCC21)c1c[nH]c2ccccc12.CC(CC(=O)N1CCC(=O)C2CCCCC21)c1c[nH]c2ccccc12.CC(CC(=O)N1CCC(O)C2CCCCC21)c1c[nH]c2ccccc12.O=C(CC(O)(c1c[nH]c2ccccc12)C(F)(F)F)N1CCCC2CCCCC21.[Na+]
• InChI: InChI=1S/2C24H32N2O3.C23H30N2O2.C21H25F3N2O2.C21H28N2O2.C21H26N2O2.Na/c2*1-15(2)19(20-14-25-21-9-5-3-7-16(20)21)13-23(27)26-12-11-18(24(28)29)17-8-4-6-10-22(17)26;1-15(2)18(19-14-24-20-9-5-3-7-16(19)20)13-23(27)25-12-11-22(26)17-8-4-6-10-21(17)25;22-21(23,24)20(28,16-13-25-17-9-3-2-8-15(16)17)12-19(27)26-11-5-7-14-6-1-4-10-18(14)26;2*1-14(17-13-22-18-8-4-2-6-15(17)18)12-21(25)23-11-10-20(24)16-7-3-5-9-19(16)23;/h2*3,5,7,9,14-15,17-19,22,25H,4,6,8,10-13H2,1-2H3,(H,28,29);3,5,7,9,14-15,17-18,21,24H,4,6,8,10-13H2,1-2H3;2-3,8-9,13-14,18,25,28H,1,4-7,10-12H2;2,4,6,8,13-14,16,19-20,22,24H,3,5,7,9-12H2,1H3;2,4,6,8,13-14,16,19,22H,3,5,7,9-12H2,1H3;/q;;;;;;+1/p-1
• InChIKey: RHTYJMLBIBREPW-UHFFFAOYSA-M
• XLogP: 22.23
• TPSA: 368.63 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 13
• Rotatable Bonds: 23
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2254.90
LogP ≤ 5	22.23
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of sodium;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)butan-1-one;1-[3-(1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one?

The IUPAC name of sodium;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)butan-1-one;1-[3-(1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one (CID 160629858) is sodium;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)butan-1-one;1-[3-(1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one.

What is the SMILES notation for sodium;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)butan-1-one;1-[3-(1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one?

The canonical SMILES for sodium;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)butan-1-one;1-[3-(1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one is CC(C)C(CC(=O)N1CCC(=O)C2CCCCC21)c1c[nH]c2ccccc12.CC(C)C(CC(=O)N1CCC(C(=O)O)C2CCCCC21)c1c[nH]c2ccccc12.CC(C)C(CC(=O)N1CCC(C(=O)[O-])C2CCCCC21)c1c[nH]c2ccccc12.CC(CC(=O)N1CCC(=O)C2CCCCC21)c1c[nH]c2ccccc12.CC(CC(=O)N1CCC(O)C2CCCCC21)c1c[nH]c2ccccc12.O=C(CC(O)(c1c[nH]c2ccccc12)C(F)(F)F)N1CCCC2CCCCC21.[Na+].

What is the InChIKey of sodium;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)butan-1-one;1-[3-(1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one?

The InChIKey is RHTYJMLBIBREPW-UHFFFAOYSA-M. The full InChI is InChI=1S/2C24H32N2O3.C23H30N2O2.C21H25F3N2O2.C21H28N2O2.C21H26N2O2.Na/c2*1-15(2)19(20-14-25-21-9-5-3-7-16(20)21)13-23(27)26-12-11-18(24(28)29)17-8-4-6-10-22(17)26;1-15(2)18(19-14-24-20-9-5-3-7-16(19)20)13-23(27)25-12-11-22(26)17-8-4-6-10-21(17)25;22-21(23,24)20(28,16-13-25-17-9-3-2-8-15(16)17)12-19(27)26-11-5-7-14-6-1-4-10-18(14)26;2*1-14(17-13-22-18-8-4-2-6-15(17)18)12-21(25)23-11-10-20(24)16-7-3-5-9-19(16)23;/h2*3,5,7,9,14-15,17-19,22,25H,4,6,8,10-13H2,1-2H3,(H,28,29);3,5,7,9,14-15,17-18,21,24H,4,6,8,10-13H2,1-2H3;2-3,8-9,13-14,18,25,28H,1,4-7,10-12H2;2,4,6,8,13-14,16,19-20,22,24H,3,5,7,9-12H2,1H3;2,4,6,8,13-14,16,19,22H,3,5,7,9-12H2,1H3;/q;;;;;;+1/p-1.

What are the key properties of sodium;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)butan-1-one;1-[3-(1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one?

sodium;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)butan-1-one;1-[3-(1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one has a molecular weight of 2254.90 g/mol, XLogP of 22.23, 23 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1H-indol-3-yl)butan-1-one;1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-3-yl)butan-1-one;1-[3-(1H-indol-3-yl)butanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylic acid;1-[3-(1H-indol-3-yl)-4-methylpentanoyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one is sourced from PubChem (CID 160629858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).