[2-[[2-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]-2-oxoethyl]-methylcarbamoyl]oxy-12-ethyl-7-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl hydrogen carbonate;ethane

C52H58N8O10 — CID 144807621

About [2-[[2-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]-2-oxoethyl]-methylcarbamoyl]oxy-12-ethyl-7-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl hydrogen carbonate;ethane

[2-[[2-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]-2-oxoethyl]-methylcarbamoyl]oxy-12-ethyl-7-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl hydrogen carbonate;ethane (PubChem CID 144807621) has the molecular formula C52H58N8O10 and a molecular weight of 955.08 g/mol. Its IUPAC name is [2-[[2-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]-2-oxoethyl]-methylcarbamoyl]oxy-12-ethyl-7-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl hydrogen carbonate;ethane.

Molecular Properties

• Compound Name: [2-[[2-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]-2-oxoethyl]-methylcarbamoyl]oxy-12-ethyl-7-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl hydrogen carbonate;ethane
• PubChem CID: 144807621
• Molecular Formula: C52H58N8O10
• Molecular Weight: 955.08 g/mol
• Exact Mass: 954.43
• IUPAC Name: [2-[[2-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]-2-oxoethyl]-methylcarbamoyl]oxy-12-ethyl-7-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl hydrogen carbonate;ethane
• SMILES: CC.CCc1c2c(nc3ccc(OC(=O)N(C)CC(=O)N4CCC(CCn5ccc6cc(-n7c(-c8cc(C(C)C)c(O)cc8O)n[nH]c7=O)ccc65)CC4)cc13)-c1cc(C)c(COC(=O)O)c(=O)n1C2
• InChI: InChI=1S/C50H52N8O10.C2H6/c1-6-33-35-21-32(8-9-39(35)51-45-37(33)24-57-41(45)19-28(4)38(47(57)62)26-67-50(65)66)68-49(64)54(5)25-44(61)56-16-12-29(13-17-56)11-15-55-18-14-30-20-31(7-10-40(30)55)58-46(52-53-48(58)63)36-22-34(27(2)3)42(59)23-43(36)60;1-2/h7-10,14,18-23,27,29,59-60H,6,11-13,15-17,24-26H2,1-5H3,(H,53,63)(H,65,66);1-2H3
• InChIKey: JOFXBOUPJPPIDF-UHFFFAOYSA-N
• XLogP: 8.31
• TPSA: 227.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	955.08
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of [2-[[2-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]-2-oxoethyl]-methylcarbamoyl]oxy-12-ethyl-7-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl hydrogen carbonate;ethane?

The IUPAC name of [2-[[2-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]-2-oxoethyl]-methylcarbamoyl]oxy-12-ethyl-7-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl hydrogen carbonate;ethane (CID 144807621) is [2-[[2-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]-2-oxoethyl]-methylcarbamoyl]oxy-12-ethyl-7-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl hydrogen carbonate;ethane.

What is the SMILES notation for [2-[[2-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]-2-oxoethyl]-methylcarbamoyl]oxy-12-ethyl-7-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl hydrogen carbonate;ethane?

The canonical SMILES for [2-[[2-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]-2-oxoethyl]-methylcarbamoyl]oxy-12-ethyl-7-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl hydrogen carbonate;ethane is CC.CCc1c2c(nc3ccc(OC(=O)N(C)CC(=O)N4CCC(CCn5ccc6cc(-n7c(-c8cc(C(C)C)c(O)cc8O)n[nH]c7=O)ccc65)CC4)cc13)-c1cc(C)c(COC(=O)O)c(=O)n1C2.

What is the InChIKey of [2-[[2-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]-2-oxoethyl]-methylcarbamoyl]oxy-12-ethyl-7-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl hydrogen carbonate;ethane?

The InChIKey is JOFXBOUPJPPIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H52N8O10.C2H6/c1-6-33-35-21-32(8-9-39(35)51-45-37(33)24-57-41(45)19-28(4)38(47(57)62)26-67-50(65)66)68-49(64)54(5)25-44(61)56-16-12-29(13-17-56)11-15-55-18-14-30-20-31(7-10-40(30)55)58-46(52-53-48(58)63)36-22-34(27(2)3)42(59)23-43(36)60;1-2/h7-10,14,18-23,27,29,59-60H,6,11-13,15-17,24-26H2,1-5H3,(H,53,63)(H,65,66);1-2H3.

What are the key properties of [2-[[2-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]-2-oxoethyl]-methylcarbamoyl]oxy-12-ethyl-7-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl hydrogen carbonate;ethane?

[2-[[2-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]-2-oxoethyl]-methylcarbamoyl]oxy-12-ethyl-7-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl hydrogen carbonate;ethane has a molecular weight of 955.08 g/mol, XLogP of 8.31, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[2-[4-[2-[5-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]indol-1-yl]ethyl]piperidin-1-yl]-2-oxoethyl]-methylcarbamoyl]oxy-12-ethyl-7-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-8-yl]methyl hydrogen carbonate;ethane is sourced from PubChem (CID 144807621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).