Sodium;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;methyl 1-[3-(1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate

C₁₃₆H₁₇₇N₁₂NaO₁₅ — CID 159710760

About Sodium;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;methyl 1-[3-(1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate

Sodium;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;methyl 1-[3-(1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate (PubChem CID 159710760) has the molecular formula C₁₃₆H₁₇₇N₁₂NaO₁₅ and a molecular weight of 2242.97 g/mol. Its IUPAC name is sodium;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;methyl 1-[3-(1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate.

Molecular Properties

• Compound Name: Sodium;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;methyl 1-[3-(1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate
• PubChem CID: 159710760
• Molecular Formula: C₁₃₆H₁₇₇N₁₂NaO₁₅
• Molecular Weight: 2242.97 g/mol
• Exact Mass: 2241.34
• IUPAC Name: sodium;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;methyl 1-[3-(1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate
• 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.COC(=O)C1CCN(C(=O)CC(C)c2c[nH]c3ccccc23)C2CCCCC12.[Na+]
• InChI: InChI=1S/2C24H32N2O3.C23H30N2O3.C23H30N2O2.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(19-14-24-20-9-5-3-7-16(19)20)13-22(26)25-12-11-18(23(27)28-2)17-8-4-6-10-21(17)25;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;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;3,5,7,9,14-15,17-18,21,24H,4,6,8,10-13H2,1-2H3;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: MYUQOWYLWFEXJN-UHFFFAOYSA-M
• XLogP: 21.98
• TPSA: 374.70 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 24
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2242.97
LogP ≤ 5	21.98
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of Sodium;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;methyl 1-[3-(1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate?

The IUPAC name of Sodium;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;methyl 1-[3-(1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate (CID 159710760) is sodium;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;methyl 1-[3-(1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate.

What is the SMILES notation for Sodium;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;methyl 1-[3-(1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate?

The canonical SMILES for Sodium;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;methyl 1-[3-(1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate 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.COC(=O)C1CCN(C(=O)CC(C)c2c[nH]c3ccccc23)C2CCCCC12.[Na+].

What is the InChIKey of Sodium;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;methyl 1-[3-(1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate?

The InChIKey is MYUQOWYLWFEXJN-UHFFFAOYSA-M. The full InChI is InChI=1S/2C24H32N2O3.C23H30N2O3.C23H30N2O2.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(19-14-24-20-9-5-3-7-16(19)20)13-22(26)25-12-11-18(23(27)28-2)17-8-4-6-10-21(17)25;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;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;3,5,7,9,14-15,17-18,21,24H,4,6,8,10-13H2,1-2H3;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-(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;methyl 1-[3-(1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate?

Sodium;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;methyl 1-[3-(1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate has a molecular weight of 2242.97 g/mol, XLogP of 21.98, 24 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for Sodium;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;methyl 1-[3-(1H-indol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-4-carboxylate is sourced from PubChem (CID 159710760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159710760 — identifiers, structure, computed properties (public domain)

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