lithium;ethyl 5-acetyl-2-bromo-6-methylindolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;morpholine;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydroxide

C120H154BBrLiN11O20 — CID 159911372

About lithium;ethyl 5-acetyl-2-bromo-6-methylindolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;morpholine;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydroxide

lithium;ethyl 5-acetyl-2-bromo-6-methylindolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;morpholine;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydroxide (PubChem CID 159911372) has the molecular formula C120H154BBrLiN11O20 and a molecular weight of 2168.27 g/mol. Its IUPAC name is lithium;ethyl 5-acetyl-2-bromo-6-methylindolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;morpholine;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydroxide.

Molecular Properties

• Compound Name: lithium;ethyl 5-acetyl-2-bromo-6-methylindolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;morpholine;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydroxide
• PubChem CID: 159911372
• Molecular Formula: C120H154BBrLiN11O20
• Molecular Weight: 2168.27 g/mol
• Exact Mass: 2166.08
• IUPAC Name: lithium;ethyl 5-acetyl-2-bromo-6-methylindolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;morpholine;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydroxide
• SMILES: C1COCCN1.C=C(c1c(C)c(C(=O)OC(C)C)cc2cc(-c3cccc(CN4CCOCC4)c3)cn12)N1CCOCC1.CC1(C)OB(c2cccc(CN3CCOCC3)c2)OC1(C)C.CCOC(=O)c1cc2cc(-c3cccc(CN4CCOCC4)c3)cn2c(C(C)=O)c1C.CCOC(=O)c1cc2cc(Br)cn2c(C(C)=O)c1C.Cc1c(C(=O)OC(C)C)cc2cc(-c3cccc(CN4CCOCC4)c3)cn2c1C(C)N1CCOCC1.[Li+].[OH-]
• InChI: InChI=1S/C30H39N3O4.C30H37N3O4.C25H28N2O4.C17H26BNO3.C14H14BrNO3.C4H9NO.Li.H2O/c2*1-21(2)37-30(34)28-18-27-17-26(25-7-5-6-24(16-25)19-31-8-12-35-13-9-31)20-33(27)29(22(28)3)23(4)32-10-14-36-15-11-32;1-4-31-25(29)23-14-22-13-21(16-27(22)24(17(23)2)18(3)28)20-7-5-6-19(12-20)15-26-8-10-30-11-9-26;1-16(2)17(3,4)22-18(21-16)15-7-5-6-14(12-15)13-19-8-10-20-11-9-19;1-4-19-14(18)12-6-11-5-10(15)7-16(11)13(8(12)2)9(3)17;1-3-6-4-2-5-1;;/h5-7,16-18,20-21,23H,8-15,19H2,1-4H3;5-7,16-18,20-21H,4,8-15,19H2,1-3H3;5-7,12-14,16H,4,8-11,15H2,1-3H3;5-7,12H,8-11,13H2,1-4H3;5-7H,4H2,1-3H3;5H,1-4H2;;1H2/q;;;;;;+1;/p-1
• InChIKey: NXFJSWOLGJETNS-UHFFFAOYSA-M
• XLogP: 15.09
• TPSA: 301.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2168.27
LogP ≤ 5	15.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;ethyl 5-acetyl-2-bromo-6-methylindolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;morpholine;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydroxide?

The IUPAC name of lithium;ethyl 5-acetyl-2-bromo-6-methylindolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;morpholine;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydroxide (CID 159911372) is lithium;ethyl 5-acetyl-2-bromo-6-methylindolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;morpholine;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydroxide.

What is the SMILES notation for lithium;ethyl 5-acetyl-2-bromo-6-methylindolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;morpholine;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydroxide?

The canonical SMILES for lithium;ethyl 5-acetyl-2-bromo-6-methylindolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;morpholine;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydroxide is C1COCCN1.C=C(c1c(C)c(C(=O)OC(C)C)cc2cc(-c3cccc(CN4CCOCC4)c3)cn12)N1CCOCC1.CC1(C)OB(c2cccc(CN3CCOCC3)c2)OC1(C)C.CCOC(=O)c1cc2cc(-c3cccc(CN4CCOCC4)c3)cn2c(C(C)=O)c1C.CCOC(=O)c1cc2cc(Br)cn2c(C(C)=O)c1C.Cc1c(C(=O)OC(C)C)cc2cc(-c3cccc(CN4CCOCC4)c3)cn2c1C(C)N1CCOCC1.[Li+].[OH-].

What is the InChIKey of lithium;ethyl 5-acetyl-2-bromo-6-methylindolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;morpholine;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydroxide?

The InChIKey is NXFJSWOLGJETNS-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H39N3O4.C30H37N3O4.C25H28N2O4.C17H26BNO3.C14H14BrNO3.C4H9NO.Li.H2O/c2*1-21(2)37-30(34)28-18-27-17-26(25-7-5-6-24(16-25)19-31-8-12-35-13-9-31)20-33(27)29(22(28)3)23(4)32-10-14-36-15-11-32;1-4-31-25(29)23-14-22-13-21(16-27(22)24(17(23)2)18(3)28)20-7-5-6-19(12-20)15-26-8-10-30-11-9-26;1-16(2)17(3,4)22-18(21-16)15-7-5-6-14(12-15)13-19-8-10-20-11-9-19;1-4-19-14(18)12-6-11-5-10(15)7-16(11)13(8(12)2)9(3)17;1-3-6-4-2-5-1;;/h5-7,16-18,20-21,23H,8-15,19H2,1-4H3;5-7,16-18,20-21H,4,8-15,19H2,1-3H3;5-7,12-14,16H,4,8-11,15H2,1-3H3;5-7,12H,8-11,13H2,1-4H3;5-7H,4H2,1-3H3;5H,1-4H2;;1H2/q;;;;;;+1;/p-1.

What are the key properties of lithium;ethyl 5-acetyl-2-bromo-6-methylindolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;morpholine;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydroxide?

lithium;ethyl 5-acetyl-2-bromo-6-methylindolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;morpholine;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydroxide has a molecular weight of 2168.27 g/mol, XLogP of 15.09, 26 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;ethyl 5-acetyl-2-bromo-6-methylindolizine-7-carboxylate;ethyl 5-acetyl-6-methyl-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;morpholine;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate;4-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine;hydroxide is sourced from PubChem (CID 159911372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).