potassium;3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-olate;1-iodo-2-(2-iodoethoxy)ethane;methyl 2-amino-5-[8-[2-[2-[3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-yl]oxyethoxy]ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate;methyl 2-amino-5-(8-hydroxy-1-methoxy-2-methylindolizine-3-carbonyl)benzoate;methyl 2-amino-5-[8-[2-(2-iodoethoxy)ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate

C107H110I3KN10O28 — CID 159952821

About potassium;3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-olate;1-iodo-2-(2-iodoethoxy)ethane;methyl 2-amino-5-[8-[2-[2-[3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-yl]oxyethoxy]ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate;methyl 2-amino-5-(8-hydroxy-1-methoxy-2-methylindolizine-3-carbonyl)benzoate;methyl 2-amino-5-[8-[2-(2-iodoethoxy)ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate

potassium;3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-olate;1-iodo-2-(2-iodoethoxy)ethane;methyl 2-amino-5-[8-[2-[2-[3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-yl]oxyethoxy]ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate;methyl 2-amino-5-(8-hydroxy-1-methoxy-2-methylindolizine-3-carbonyl)benzoate;methyl 2-amino-5-[8-[2-(2-iodoethoxy)ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate (PubChem CID 159952821) has the molecular formula C107H110I3KN10O28 and a molecular weight of 2403.91 g/mol. Its IUPAC name is potassium;3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-olate;1-iodo-2-(2-iodoethoxy)ethane;methyl 2-amino-5-[8-[2-[2-[3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-yl]oxyethoxy]ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate;methyl 2-amino-5-(8-hydroxy-1-methoxy-2-methylindolizine-3-carbonyl)benzoate;methyl 2-amino-5-[8-[2-(2-iodoethoxy)ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate.

Molecular Properties

• Compound Name: potassium;3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-olate;1-iodo-2-(2-iodoethoxy)ethane;methyl 2-amino-5-[8-[2-[2-[3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-yl]oxyethoxy]ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate;methyl 2-amino-5-(8-hydroxy-1-methoxy-2-methylindolizine-3-carbonyl)benzoate;methyl 2-amino-5-[8-[2-(2-iodoethoxy)ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate
• PubChem CID: 159952821
• Molecular Formula: C107H110I3KN10O28
• Molecular Weight: 2403.91 g/mol
• Exact Mass: 2402.43
• IUPAC Name: potassium;3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-olate;1-iodo-2-(2-iodoethoxy)ethane;methyl 2-amino-5-[8-[2-[2-[3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-yl]oxyethoxy]ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate;methyl 2-amino-5-(8-hydroxy-1-methoxy-2-methylindolizine-3-carbonyl)benzoate;methyl 2-amino-5-[8-[2-(2-iodoethoxy)ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate
• SMILES: COC(=O)c1cc(C(=O)c2c(C)c(OC)c3c(O)cccn23)ccc1N.COC(=O)c1cc(C(=O)c2c(C)c(OC)c3c(OCCOCCI)cccn23)ccc1N.COC(=O)c1cc(C(=O)c2c(C)c(OC)c3ccc(OCCOCCOc4cccn5c(C(=O)c6ccc(N)c(C(=O)OC)c6)c(C)c(OC)c45)cn23)ccc1N.COC(=O)c1cc(C(=O)c2c(C)c(OC)c3ccc([O-])cn23)ccc1N.ICCOCCI.[K+]
• InChI: InChI=1S/C42H42N4O11.C23H25IN2O6.2C19H18N2O5.C4H8I2O.K/c1-23-35(38(48)26-10-13-31(44)29(21-26)42(50)54-6)46-22-27(11-14-32(46)39(23)51-3)56-18-16-55-17-19-57-33-8-7-15-45-34(24(2)40(52-4)36(33)45)37(47)25-9-12-30(43)28(20-25)41(49)53-5;1-14-19(21(27)15-6-7-17(25)16(13-15)23(28)30-3)26-9-4-5-18(20(26)22(14)29-2)32-12-11-31-10-8-24;1-10-16(21-9-12(22)5-7-15(21)18(10)25-2)17(23)11-4-6-14(20)13(8-11)19(24)26-3;1-10-15(21-8-4-5-14(22)16(21)18(10)25-2)17(23)11-6-7-13(20)12(9-11)19(24)26-3;5-1-3-7-4-2-6;/h7-15,20-22H,16-19,43-44H2,1-6H3;4-7,9,13H,8,10-12,25H2,1-3H3;2*4-9,22H,20H2,1-3H3;1-4H2;/q;;;;;+1/p-1
• InChIKey: OCIGGDMLSYGHLA-UHFFFAOYSA-M
• XLogP: 12.56
• TPSA: 513.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 38
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2403.91
LogP ≤ 5	12.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-olate;1-iodo-2-(2-iodoethoxy)ethane;methyl 2-amino-5-[8-[2-[2-[3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-yl]oxyethoxy]ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate;methyl 2-amino-5-(8-hydroxy-1-methoxy-2-methylindolizine-3-carbonyl)benzoate;methyl 2-amino-5-[8-[2-(2-iodoethoxy)ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate?

The IUPAC name of potassium;3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-olate;1-iodo-2-(2-iodoethoxy)ethane;methyl 2-amino-5-[8-[2-[2-[3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-yl]oxyethoxy]ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate;methyl 2-amino-5-(8-hydroxy-1-methoxy-2-methylindolizine-3-carbonyl)benzoate;methyl 2-amino-5-[8-[2-(2-iodoethoxy)ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate (CID 159952821) is potassium;3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-olate;1-iodo-2-(2-iodoethoxy)ethane;methyl 2-amino-5-[8-[2-[2-[3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-yl]oxyethoxy]ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate;methyl 2-amino-5-(8-hydroxy-1-methoxy-2-methylindolizine-3-carbonyl)benzoate;methyl 2-amino-5-[8-[2-(2-iodoethoxy)ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate.

What is the SMILES notation for potassium;3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-olate;1-iodo-2-(2-iodoethoxy)ethane;methyl 2-amino-5-[8-[2-[2-[3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-yl]oxyethoxy]ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate;methyl 2-amino-5-(8-hydroxy-1-methoxy-2-methylindolizine-3-carbonyl)benzoate;methyl 2-amino-5-[8-[2-(2-iodoethoxy)ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate?

The canonical SMILES for potassium;3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-olate;1-iodo-2-(2-iodoethoxy)ethane;methyl 2-amino-5-[8-[2-[2-[3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-yl]oxyethoxy]ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate;methyl 2-amino-5-(8-hydroxy-1-methoxy-2-methylindolizine-3-carbonyl)benzoate;methyl 2-amino-5-[8-[2-(2-iodoethoxy)ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate is COC(=O)c1cc(C(=O)c2c(C)c(OC)c3c(O)cccn23)ccc1N.COC(=O)c1cc(C(=O)c2c(C)c(OC)c3c(OCCOCCI)cccn23)ccc1N.COC(=O)c1cc(C(=O)c2c(C)c(OC)c3ccc(OCCOCCOc4cccn5c(C(=O)c6ccc(N)c(C(=O)OC)c6)c(C)c(OC)c45)cn23)ccc1N.COC(=O)c1cc(C(=O)c2c(C)c(OC)c3ccc([O-])cn23)ccc1N.ICCOCCI.[K+].

What is the InChIKey of potassium;3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-olate;1-iodo-2-(2-iodoethoxy)ethane;methyl 2-amino-5-[8-[2-[2-[3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-yl]oxyethoxy]ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate;methyl 2-amino-5-(8-hydroxy-1-methoxy-2-methylindolizine-3-carbonyl)benzoate;methyl 2-amino-5-[8-[2-(2-iodoethoxy)ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate?

The InChIKey is OCIGGDMLSYGHLA-UHFFFAOYSA-M. The full InChI is InChI=1S/C42H42N4O11.C23H25IN2O6.2C19H18N2O5.C4H8I2O.K/c1-23-35(38(48)26-10-13-31(44)29(21-26)42(50)54-6)46-22-27(11-14-32(46)39(23)51-3)56-18-16-55-17-19-57-33-8-7-15-45-34(24(2)40(52-4)36(33)45)37(47)25-9-12-30(43)28(20-25)41(49)53-5;1-14-19(21(27)15-6-7-17(25)16(13-15)23(28)30-3)26-9-4-5-18(20(26)22(14)29-2)32-12-11-31-10-8-24;1-10-16(21-9-12(22)5-7-15(21)18(10)25-2)17(23)11-4-6-14(20)13(8-11)19(24)26-3;1-10-15(21-8-4-5-14(22)16(21)18(10)25-2)17(23)11-6-7-13(20)12(9-11)19(24)26-3;5-1-3-7-4-2-6;/h7-15,20-22H,16-19,43-44H2,1-6H3;4-7,9,13H,8,10-12,25H2,1-3H3;2*4-9,22H,20H2,1-3H3;1-4H2;/q;;;;;+1/p-1.

What are the key properties of potassium;3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-olate;1-iodo-2-(2-iodoethoxy)ethane;methyl 2-amino-5-[8-[2-[2-[3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-yl]oxyethoxy]ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate;methyl 2-amino-5-(8-hydroxy-1-methoxy-2-methylindolizine-3-carbonyl)benzoate;methyl 2-amino-5-[8-[2-(2-iodoethoxy)ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate?

potassium;3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-olate;1-iodo-2-(2-iodoethoxy)ethane;methyl 2-amino-5-[8-[2-[2-[3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-yl]oxyethoxy]ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate;methyl 2-amino-5-(8-hydroxy-1-methoxy-2-methylindolizine-3-carbonyl)benzoate;methyl 2-amino-5-[8-[2-(2-iodoethoxy)ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate has a molecular weight of 2403.91 g/mol, XLogP of 12.56, 38 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-olate;1-iodo-2-(2-iodoethoxy)ethane;methyl 2-amino-5-[8-[2-[2-[3-(4-amino-3-methoxycarbonylbenzoyl)-1-methoxy-2-methylindolizin-6-yl]oxyethoxy]ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate;methyl 2-amino-5-(8-hydroxy-1-methoxy-2-methylindolizine-3-carbonyl)benzoate;methyl 2-amino-5-[8-[2-(2-iodoethoxy)ethoxy]-1-methoxy-2-methylindolizine-3-carbonyl]benzoate is sourced from PubChem (CID 159952821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).