potassium;ethyl 2-oxoacetate;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;2-piperazin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate;2-piperidin-1-ylethanol;hydroxide

C55H61KN11O9- — CID 158254166

About potassium;ethyl 2-oxoacetate;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;2-piperazin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate;2-piperidin-1-ylethanol;hydroxide

potassium;ethyl 2-oxoacetate;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;2-piperazin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate;2-piperidin-1-ylethanol;hydroxide (PubChem CID 158254166) has the molecular formula C55H61KN11O9- and a molecular weight of 1059.26 g/mol. Its IUPAC name is potassium;ethyl 2-oxoacetate;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;2-piperazin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate;2-piperidin-1-ylethanol;hydroxide.

Molecular Properties

• Compound Name: potassium;ethyl 2-oxoacetate;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;2-piperazin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate;2-piperidin-1-ylethanol;hydroxide
• PubChem CID: 158254166
• Molecular Formula: C55H61KN11O9-
• Molecular Weight: 1059.26 g/mol
• Exact Mass: 1058.43
• IUPAC Name: potassium;ethyl 2-oxoacetate;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;2-piperazin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate;2-piperidin-1-ylethanol;hydroxide
• SMILES: CCOC(=O)[C-]=O.Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(C(=O)O)cc3c2)n1.Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(C(=O)OCCN4CCNCC4)cc3c2)n1.OCCN1CCCCC1.[K+].[OH-]
• InChI: InChI=1S/C25H26N6O2.C19H14N4O2.C7H15NO.C4H5O3.K.H2O/c1-17-3-2-4-22(30-17)24-23(28-16-29-24)18-5-6-21-19(13-18)14-20(15-27-21)25(32)33-12-11-31-9-7-26-8-10-31;1-11-3-2-4-16(23-11)18-17(21-10-22-18)12-5-6-15-13(7-12)8-14(9-20-15)19(24)25;9-7-6-8-4-2-1-3-5-8;1-2-7-4(6)3-5;;/h2-6,13-16,26H,7-12H2,1H3,(H,28,29);2-10H,1H3,(H,21,22)(H,24,25);9H,1-7H2;2H2,1H3;;1H2/q;;;-1;+1;/p-1
• InChIKey: XTFMDFZNWZHNFD-UHFFFAOYSA-M
• XLogP: 3.70
• TPSA: 284.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1059.26
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;ethyl 2-oxoacetate;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;2-piperazin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate;2-piperidin-1-ylethanol;hydroxide?

The IUPAC name of potassium;ethyl 2-oxoacetate;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;2-piperazin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate;2-piperidin-1-ylethanol;hydroxide (CID 158254166) is potassium;ethyl 2-oxoacetate;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;2-piperazin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate;2-piperidin-1-ylethanol;hydroxide.

What is the SMILES notation for potassium;ethyl 2-oxoacetate;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;2-piperazin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate;2-piperidin-1-ylethanol;hydroxide?

The canonical SMILES for potassium;ethyl 2-oxoacetate;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;2-piperazin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate;2-piperidin-1-ylethanol;hydroxide is CCOC(=O)[C-]=O.Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(C(=O)O)cc3c2)n1.Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(C(=O)OCCN4CCNCC4)cc3c2)n1.OCCN1CCCCC1.[K+].[OH-].

What is the InChIKey of potassium;ethyl 2-oxoacetate;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;2-piperazin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate;2-piperidin-1-ylethanol;hydroxide?

The InChIKey is XTFMDFZNWZHNFD-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H26N6O2.C19H14N4O2.C7H15NO.C4H5O3.K.H2O/c1-17-3-2-4-22(30-17)24-23(28-16-29-24)18-5-6-21-19(13-18)14-20(15-27-21)25(32)33-12-11-31-9-7-26-8-10-31;1-11-3-2-4-16(23-11)18-17(21-10-22-18)12-5-6-15-13(7-12)8-14(9-20-15)19(24)25;9-7-6-8-4-2-1-3-5-8;1-2-7-4(6)3-5;;/h2-6,13-16,26H,7-12H2,1H3,(H,28,29);2-10H,1H3,(H,21,22)(H,24,25);9H,1-7H2;2H2,1H3;;1H2/q;;;-1;+1;/p-1.

What are the key properties of potassium;ethyl 2-oxoacetate;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;2-piperazin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate;2-piperidin-1-ylethanol;hydroxide?

potassium;ethyl 2-oxoacetate;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;2-piperazin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate;2-piperidin-1-ylethanol;hydroxide has a molecular weight of 1059.26 g/mol, XLogP of 3.70, 13 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;ethyl 2-oxoacetate;6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylic acid;2-piperazin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline-3-carboxylate;2-piperidin-1-ylethanol;hydroxide is sourced from PubChem (CID 158254166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).