4-N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]quinoline-2,4-dicarboxamide

C31H34N6O8 — CID 156528355

About 4-N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]quinoline-2,4-dicarboxamide

4-N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]quinoline-2,4-dicarboxamide (PubChem CID 156528355) has the molecular formula C31H34N6O8 and a molecular weight of 618.65 g/mol. Its IUPAC name is 4-N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]quinoline-2,4-dicarboxamide.

Molecular Properties

• Compound Name: 4-N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]quinoline-2,4-dicarboxamide
• PubChem CID: 156528355
• Molecular Formula: C31H34N6O8
• Molecular Weight: 618.65 g/mol
• Exact Mass: 618.24
• IUPAC Name: 4-N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]quinoline-2,4-dicarboxamide
• SMILES: NCOCCOCCOCCNC(=O)c1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)nc2ccccc12
• InChI: InChI=1S/C31H34N6O8/c32-18-45-14-13-44-12-11-43-10-9-33-28(39)23-16-25(35-24-4-2-1-3-21(23)24)29(40)34-20-6-5-19-17-37(31(42)22(19)15-20)26-7-8-27(38)36-30(26)41/h1-6,15-16,26H,7-14,17-18,32H2,(H,33,39)(H,34,40)(H,36,38,41)
• InChIKey: DHOCQKCHTRNJBP-UHFFFAOYSA-N
• XLogP: 0.94
• TPSA: 191.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	618.65
LogP ≤ 5	0.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]quinoline-2,4-dicarboxamide?

The IUPAC name of 4-N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]quinoline-2,4-dicarboxamide (CID 156528355) is 4-N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]quinoline-2,4-dicarboxamide.

What is the SMILES notation for 4-N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]quinoline-2,4-dicarboxamide?

The canonical SMILES for 4-N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]quinoline-2,4-dicarboxamide is NCOCCOCCOCCNC(=O)c1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)nc2ccccc12.

What is the InChIKey of 4-N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]quinoline-2,4-dicarboxamide?

The InChIKey is DHOCQKCHTRNJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O8/c32-18-45-14-13-44-12-11-43-10-9-33-28(39)23-16-25(35-24-4-2-1-3-21(23)24)29(40)34-20-6-5-19-17-37(31(42)22(19)15-20)26-7-8-27(38)36-30(26)41/h1-6,15-16,26H,7-14,17-18,32H2,(H,33,39)(H,34,40)(H,36,38,41).

What are the key properties of 4-N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]quinoline-2,4-dicarboxamide?

4-N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]quinoline-2,4-dicarboxamide has a molecular weight of 618.65 g/mol, XLogP of 0.94, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]quinoline-2,4-dicarboxamide is sourced from PubChem (CID 156528355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).