potassium;6-chloro-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-ethyl-2-oxoacetamide;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetic acid;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydroxide;hydrochloride

C86H84Cl6KN9O16 — CID 160665881

About potassium;6-chloro-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-ethyl-2-oxoacetamide;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetic acid;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydroxide;hydrochloride

potassium;6-chloro-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-ethyl-2-oxoacetamide;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetic acid;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydroxide;hydrochloride (PubChem CID 160665881) has the molecular formula C86H84Cl6KN9O16 and a molecular weight of 1751.48 g/mol. Its IUPAC name is potassium;6-chloro-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-ethyl-2-oxoacetamide;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetic acid;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: potassium;6-chloro-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-ethyl-2-oxoacetamide;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetic acid;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydroxide;hydrochloride
• PubChem CID: 160665881
• Molecular Formula: C86H84Cl6KN9O16
• Molecular Weight: 1751.48 g/mol
• Exact Mass: 1747.38
• IUPAC Name: potassium;6-chloro-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-ethyl-2-oxoacetamide;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetic acid;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydroxide;hydrochloride
• SMILES: CCNC(=O)C(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OC)cc1.CCOC(=O)C(=O)Cl.CCOC(=O)C(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OC)cc1.COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)C(=O)O)cc1.Cl.[K+].[OH-]
• InChI: InChI=1S/C22H22ClN3O3.C22H21ClN2O4.C20H17ClN2O4.C18H17ClN2O.C4H5ClO3.ClH.K.H2O/c1-3-24-21(27)22(28)26-11-10-16-17-12-14(23)6-9-18(17)25-19(16)20(26)13-4-7-15(29-2)8-5-13;1-3-29-22(27)21(26)25-11-10-16-17-12-14(23)6-9-18(17)24-19(16)20(25)13-4-7-15(28-2)8-5-13;1-27-13-5-2-11(3-6-13)18-17-14(8-9-23(18)19(24)20(25)26)15-10-12(21)4-7-16(15)22-17;1-22-13-5-2-11(3-6-13)17-18-14(8-9-20-17)15-10-12(19)4-7-16(15)21-18;1-2-8-4(7)3(5)6;;;/h4-9,12,20,25H,3,10-11H2,1-2H3,(H,24,27);4-9,12,20,24H,3,10-11H2,1-2H3;2-7,10,18,22H,8-9H2,1H3,(H,25,26);2-7,10,17,20-21H,8-9H2,1H3;2H2,1H3;1H;;1H2/q;;;;;;+1;/p-1
• InChIKey: CCWMYAAVLGEQTI-UHFFFAOYSA-M
• XLogP: 12.32
• TPSA: 339.11 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1751.48
LogP ≤ 5	12.32
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;6-chloro-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-ethyl-2-oxoacetamide;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetic acid;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydroxide;hydrochloride?

The IUPAC name of potassium;6-chloro-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-ethyl-2-oxoacetamide;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetic acid;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydroxide;hydrochloride (CID 160665881) is potassium;6-chloro-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-ethyl-2-oxoacetamide;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetic acid;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydroxide;hydrochloride.

What is the SMILES notation for potassium;6-chloro-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-ethyl-2-oxoacetamide;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetic acid;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydroxide;hydrochloride?

The canonical SMILES for potassium;6-chloro-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-ethyl-2-oxoacetamide;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetic acid;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydroxide;hydrochloride is CCNC(=O)C(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OC)cc1.CCOC(=O)C(=O)Cl.CCOC(=O)C(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1ccc(OC)cc1.COc1ccc(C2NCCc3c2[nH]c2ccc(Cl)cc32)cc1.COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)C(=O)O)cc1.Cl.[K+].[OH-].

What is the InChIKey of potassium;6-chloro-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-ethyl-2-oxoacetamide;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetic acid;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydroxide;hydrochloride?

The InChIKey is CCWMYAAVLGEQTI-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H22ClN3O3.C22H21ClN2O4.C20H17ClN2O4.C18H17ClN2O.C4H5ClO3.ClH.K.H2O/c1-3-24-21(27)22(28)26-11-10-16-17-12-14(23)6-9-18(17)25-19(16)20(26)13-4-7-15(29-2)8-5-13;1-3-29-22(27)21(26)25-11-10-16-17-12-14(23)6-9-18(17)24-19(16)20(25)13-4-7-15(28-2)8-5-13;1-27-13-5-2-11(3-6-13)18-17-14(8-9-23(18)19(24)20(25)26)15-10-12(21)4-7-16(15)22-17;1-22-13-5-2-11(3-6-13)17-18-14(8-9-20-17)15-10-12(19)4-7-16(15)21-18;1-2-8-4(7)3(5)6;;;/h4-9,12,20,25H,3,10-11H2,1-2H3,(H,24,27);4-9,12,20,24H,3,10-11H2,1-2H3;2-7,10,18,22H,8-9H2,1H3,(H,25,26);2-7,10,17,20-21H,8-9H2,1H3;2H2,1H3;1H;;1H2/q;;;;;;+1;/p-1.

What are the key properties of potassium;6-chloro-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-ethyl-2-oxoacetamide;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetic acid;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydroxide;hydrochloride?

potassium;6-chloro-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-ethyl-2-oxoacetamide;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetic acid;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydroxide;hydrochloride has a molecular weight of 1751.48 g/mol, XLogP of 12.32, 12 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;6-chloro-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-N-ethyl-2-oxoacetamide;2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetic acid;ethyl 2-[6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoacetate;ethyl 2-chloro-2-oxoacetate;hydroxide;hydrochloride is sourced from PubChem (CID 160665881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).