sodium;3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;2-(chloromethyl)quinoline;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-phenylmethoxyindolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-[(4-chlorophenyl)-hydroxymethylidene]-1-(2,2-dimethylpropanoyl)-7-oxoindolizin-2-yl]-2,2-dimethylpropanoate;methane;hydroxide

C144H149Cl5N7NaO21 — CID 162234305

About sodium;3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;2-(chloromethyl)quinoline;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-phenylmethoxyindolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-[(4-chlorophenyl)-hydroxymethylidene]-1-(2,2-dimethylpropanoyl)-7-oxoindolizin-2-yl]-2,2-dimethylpropanoate;methane;hydroxide

sodium;3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;2-(chloromethyl)quinoline;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-phenylmethoxyindolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-[(4-chlorophenyl)-hydroxymethylidene]-1-(2,2-dimethylpropanoyl)-7-oxoindolizin-2-yl]-2,2-dimethylpropanoate;methane;hydroxide (PubChem CID 162234305) has the molecular formula C144H149Cl5N7NaO21 and a molecular weight of 2514.06 g/mol. Its IUPAC name is sodium;3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;2-(chloromethyl)quinoline;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-phenylmethoxyindolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-[(4-chlorophenyl)-hydroxymethylidene]-1-(2,2-dimethylpropanoyl)-7-oxoindolizin-2-yl]-2,2-dimethylpropanoate;methane;hydroxide.

Molecular Properties

• Compound Name: sodium;3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;2-(chloromethyl)quinoline;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-phenylmethoxyindolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-[(4-chlorophenyl)-hydroxymethylidene]-1-(2,2-dimethylpropanoyl)-7-oxoindolizin-2-yl]-2,2-dimethylpropanoate;methane;hydroxide
• PubChem CID: 162234305
• Molecular Formula: C144H149Cl5N7NaO21
• Molecular Weight: 2514.06 g/mol
• Exact Mass: 2509.91
• IUPAC Name: sodium;3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;2-(chloromethyl)quinoline;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-phenylmethoxyindolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-[(4-chlorophenyl)-hydroxymethylidene]-1-(2,2-dimethylpropanoyl)-7-oxoindolizin-2-yl]-2,2-dimethylpropanoate;methane;hydroxide
• SMILES: C.CC(C)(C)C(=O)c1c(CC(C)(C)C(=O)O)c(C(=O)c2ccc(Cl)cc2)n2ccc(OCc3ccc4ccccc4n3)cc12.CCOC(=O)C(C)(C)Cc1c(C(=O)C(C)(C)C)c2cc(=O)ccn2c1=C(O)c1ccc(Cl)cc1.CCOC(=O)C(C)(C)Cc1c(C(=O)C(C)(C)C)c2cc(OCc3ccc4ccccc4n3)ccn2c1C(=O)c1ccc(Cl)cc1.CCOC(=O)C(C)(C)Cc1c(C(=O)C(C)(C)C)c2cc(OCc3ccccc3)ccn2c1C(=O)c1ccc(Cl)cc1.ClCc1ccc2ccccc2n1.[Na+].[OH-]
• InChI: InChI=1S/C37H37ClN2O5.C35H33ClN2O5.C34H36ClNO5.C27H30ClNO5.C10H8ClN.CH4.Na.H2O/c1-7-44-35(43)37(5,6)21-28-31(34(42)36(2,3)4)30-20-27(45-22-26-17-14-23-10-8-9-11-29(23)39-26)18-19-40(30)32(28)33(41)24-12-15-25(38)16-13-24;1-34(2,3)32(40)29-26(19-35(4,5)33(41)42)30(31(39)22-10-13-23(36)14-11-22)38-17-16-25(18-28(29)38)43-20-24-15-12-21-8-6-7-9-27(21)37-24;1-7-40-32(39)34(5,6)20-26-28(31(38)33(2,3)4)27-19-25(41-21-22-11-9-8-10-12-22)17-18-36(27)29(26)30(37)23-13-15-24(35)16-14-23;1-7-34-25(33)27(5,6)15-19-21(24(32)26(2,3)4)20-14-18(30)12-13-29(20)22(19)23(31)16-8-10-17(28)11-9-16;11-7-9-6-5-8-3-1-2-4-10(8)12-9;;;/h8-20H,7,21-22H2,1-6H3;6-18H,19-20H2,1-5H3,(H,41,42);8-19H,7,20-21H2,1-6H3;8-14,31H,7,15H2,1-6H3;1-6H,7H2;1H4;;1H2/q;;;;;;+1;/p-1
• InChIKey: YRTBYHGBADNXKL-UHFFFAOYSA-M
• XLogP: 29.09
• TPSA: 386.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 36
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2514.06
LogP ≤ 5	29.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;2-(chloromethyl)quinoline;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-phenylmethoxyindolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-[(4-chlorophenyl)-hydroxymethylidene]-1-(2,2-dimethylpropanoyl)-7-oxoindolizin-2-yl]-2,2-dimethylpropanoate;methane;hydroxide?

The IUPAC name of sodium;3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;2-(chloromethyl)quinoline;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-phenylmethoxyindolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-[(4-chlorophenyl)-hydroxymethylidene]-1-(2,2-dimethylpropanoyl)-7-oxoindolizin-2-yl]-2,2-dimethylpropanoate;methane;hydroxide (CID 162234305) is sodium;3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;2-(chloromethyl)quinoline;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-phenylmethoxyindolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-[(4-chlorophenyl)-hydroxymethylidene]-1-(2,2-dimethylpropanoyl)-7-oxoindolizin-2-yl]-2,2-dimethylpropanoate;methane;hydroxide.

What is the SMILES notation for sodium;3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;2-(chloromethyl)quinoline;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-phenylmethoxyindolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-[(4-chlorophenyl)-hydroxymethylidene]-1-(2,2-dimethylpropanoyl)-7-oxoindolizin-2-yl]-2,2-dimethylpropanoate;methane;hydroxide?

The canonical SMILES for sodium;3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;2-(chloromethyl)quinoline;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-phenylmethoxyindolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-[(4-chlorophenyl)-hydroxymethylidene]-1-(2,2-dimethylpropanoyl)-7-oxoindolizin-2-yl]-2,2-dimethylpropanoate;methane;hydroxide is C.CC(C)(C)C(=O)c1c(CC(C)(C)C(=O)O)c(C(=O)c2ccc(Cl)cc2)n2ccc(OCc3ccc4ccccc4n3)cc12.CCOC(=O)C(C)(C)Cc1c(C(=O)C(C)(C)C)c2cc(=O)ccn2c1=C(O)c1ccc(Cl)cc1.CCOC(=O)C(C)(C)Cc1c(C(=O)C(C)(C)C)c2cc(OCc3ccc4ccccc4n3)ccn2c1C(=O)c1ccc(Cl)cc1.CCOC(=O)C(C)(C)Cc1c(C(=O)C(C)(C)C)c2cc(OCc3ccccc3)ccn2c1C(=O)c1ccc(Cl)cc1.ClCc1ccc2ccccc2n1.[Na+].[OH-].

What is the InChIKey of sodium;3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;2-(chloromethyl)quinoline;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-phenylmethoxyindolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-[(4-chlorophenyl)-hydroxymethylidene]-1-(2,2-dimethylpropanoyl)-7-oxoindolizin-2-yl]-2,2-dimethylpropanoate;methane;hydroxide?

The InChIKey is YRTBYHGBADNXKL-UHFFFAOYSA-M. The full InChI is InChI=1S/C37H37ClN2O5.C35H33ClN2O5.C34H36ClNO5.C27H30ClNO5.C10H8ClN.CH4.Na.H2O/c1-7-44-35(43)37(5,6)21-28-31(34(42)36(2,3)4)30-20-27(45-22-26-17-14-23-10-8-9-11-29(23)39-26)18-19-40(30)32(28)33(41)24-12-15-25(38)16-13-24;1-34(2,3)32(40)29-26(19-35(4,5)33(41)42)30(31(39)22-10-13-23(36)14-11-22)38-17-16-25(18-28(29)38)43-20-24-15-12-21-8-6-7-9-27(21)37-24;1-7-40-32(39)34(5,6)20-26-28(31(38)33(2,3)4)27-19-25(41-21-22-11-9-8-10-12-22)17-18-36(27)29(26)30(37)23-13-15-24(35)16-14-23;1-7-34-25(33)27(5,6)15-19-21(24(32)26(2,3)4)20-14-18(30)12-13-29(20)22(19)23(31)16-8-10-17(28)11-9-16;11-7-9-6-5-8-3-1-2-4-10(8)12-9;;;/h8-20H,7,21-22H2,1-6H3;6-18H,19-20H2,1-5H3,(H,41,42);8-19H,7,20-21H2,1-6H3;8-14,31H,7,15H2,1-6H3;1-6H,7H2;1H4;;1H2/q;;;;;;+1;/p-1.

What are the key properties of sodium;3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;2-(chloromethyl)quinoline;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-phenylmethoxyindolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-[(4-chlorophenyl)-hydroxymethylidene]-1-(2,2-dimethylpropanoyl)-7-oxoindolizin-2-yl]-2,2-dimethylpropanoate;methane;hydroxide?

sodium;3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;2-(chloromethyl)quinoline;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-phenylmethoxyindolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-[(4-chlorophenyl)-hydroxymethylidene]-1-(2,2-dimethylpropanoyl)-7-oxoindolizin-2-yl]-2,2-dimethylpropanoate;methane;hydroxide has a molecular weight of 2514.06 g/mol, XLogP of 29.09, 36 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoic acid;2-(chloromethyl)quinoline;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-phenylmethoxyindolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-(4-chlorobenzoyl)-1-(2,2-dimethylpropanoyl)-7-(quinolin-2-ylmethoxy)indolizin-2-yl]-2,2-dimethylpropanoate;ethyl 3-[3-[(4-chlorophenyl)-hydroxymethylidene]-1-(2,2-dimethylpropanoyl)-7-oxoindolizin-2-yl]-2,2-dimethylpropanoate;methane;hydroxide is sourced from PubChem (CID 162234305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).