(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[(2E)-2-[(2E,4E)-5-[1,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylquinolin-3-yl]penta-2,4-dienylidene]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-methylindol-1-yl]ethoxy]ethoxy]ethoxy]propanoate

C64H97N3O19 — CID 139310561

About (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[(2E)-2-[(2E,4E)-5-[1,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylquinolin-3-yl]penta-2,4-dienylidene]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-methylindol-1-yl]ethoxy]ethoxy]ethoxy]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[(2E)-2-[(2E,4E)-5-[1,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylquinolin-3-yl]penta-2,4-dienylidene]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-methylindol-1-yl]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 139310561) has the molecular formula C64H97N3O19 and a molecular weight of 1212.48 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[(2E)-2-[(2E,4E)-5-[1,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylquinolin-3-yl]penta-2,4-dienylidene]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-methylindol-1-yl]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[(2E)-2-[(2E,4E)-5-[1,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylquinolin-3-yl]penta-2,4-dienylidene]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-methylindol-1-yl]ethoxy]ethoxy]ethoxy]propanoate
• PubChem CID: 139310561
• Molecular Formula: C64H97N3O19
• Molecular Weight: 1212.48 g/mol
• Exact Mass: 1211.67
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[(2E)-2-[(2E,4E)-5-[1,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylquinolin-3-yl]penta-2,4-dienylidene]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-methylindol-1-yl]ethoxy]ethoxy]ethoxy]propanoate
• SMILES: COCCOCCOCCOCCN1C=C(/C=C/C=C/C=C2/N(CCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)c3ccccc3C2(C)CCOCCOCCOCCOC)C(C)(CCOCCOCCOCCOC)c2ccccc21
• InChI: InChI=1S/C64H97N3O19/c1-63(22-27-75-38-43-83-50-47-79-34-31-71-3)54(53-65(57-16-11-9-14-55(57)63)24-29-77-40-45-85-52-49-81-36-33-73-5)13-7-6-8-18-59-64(2,23-28-76-39-44-84-51-48-80-35-32-72-4)56-15-10-12-17-58(56)66(59)25-30-78-41-46-82-42-37-74-26-21-62(70)86-67-60(68)19-20-61(67)69/h6-18,53H,19-52H2,1-5H3/b8-6+,13-7+,59-18+
• InChIKey: CIDYHKXIHMQLGV-KSJHPGMISA-N
• XLogP: 6.34
• TPSA: 208.61 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 52
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1212.48
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[(2E)-2-[(2E,4E)-5-[1,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylquinolin-3-yl]penta-2,4-dienylidene]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-methylindol-1-yl]ethoxy]ethoxy]ethoxy]propanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[(2E)-2-[(2E,4E)-5-[1,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylquinolin-3-yl]penta-2,4-dienylidene]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-methylindol-1-yl]ethoxy]ethoxy]ethoxy]propanoate (CID 139310561) is (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[(2E)-2-[(2E,4E)-5-[1,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylquinolin-3-yl]penta-2,4-dienylidene]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-methylindol-1-yl]ethoxy]ethoxy]ethoxy]propanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[(2E)-2-[(2E,4E)-5-[1,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylquinolin-3-yl]penta-2,4-dienylidene]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-methylindol-1-yl]ethoxy]ethoxy]ethoxy]propanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[(2E)-2-[(2E,4E)-5-[1,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylquinolin-3-yl]penta-2,4-dienylidene]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-methylindol-1-yl]ethoxy]ethoxy]ethoxy]propanoate is COCCOCCOCCOCCN1C=C(/C=C/C=C/C=C2/N(CCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)c3ccccc3C2(C)CCOCCOCCOCCOC)C(C)(CCOCCOCCOCCOC)c2ccccc21.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[(2E)-2-[(2E,4E)-5-[1,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylquinolin-3-yl]penta-2,4-dienylidene]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-methylindol-1-yl]ethoxy]ethoxy]ethoxy]propanoate?

The InChIKey is CIDYHKXIHMQLGV-KSJHPGMISA-N. The full InChI is InChI=1S/C64H97N3O19/c1-63(22-27-75-38-43-83-50-47-79-34-31-71-3)54(53-65(57-16-11-9-14-55(57)63)24-29-77-40-45-85-52-49-81-36-33-73-5)13-7-6-8-18-59-64(2,23-28-76-39-44-84-51-48-80-35-32-72-4)56-15-10-12-17-58(56)66(59)25-30-78-41-46-82-42-37-74-26-21-62(70)86-67-60(68)19-20-61(67)69/h6-18,53H,19-52H2,1-5H3/b8-6+,13-7+,59-18+.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[(2E)-2-[(2E,4E)-5-[1,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylquinolin-3-yl]penta-2,4-dienylidene]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-methylindol-1-yl]ethoxy]ethoxy]ethoxy]propanoate?

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[(2E)-2-[(2E,4E)-5-[1,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylquinolin-3-yl]penta-2,4-dienylidene]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-methylindol-1-yl]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 1212.48 g/mol, XLogP of 6.34, 52 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[(2E)-2-[(2E,4E)-5-[1,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylquinolin-3-yl]penta-2,4-dienylidene]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-methylindol-1-yl]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 139310561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).