N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]quinazolin-7-yl]amino]acetamide

C30H36N8O7 — CID 156528041

About N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]quinazolin-7-yl]amino]acetamide

N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]quinazolin-7-yl]amino]acetamide (PubChem CID 156528041) has the molecular formula C30H36N8O7 and a molecular weight of 620.67 g/mol. Its IUPAC name is N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]quinazolin-7-yl]amino]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]quinazolin-7-yl]amino]acetamide
• PubChem CID: 156528041
• Molecular Formula: C30H36N8O7
• Molecular Weight: 620.67 g/mol
• Exact Mass: 620.27
• IUPAC Name: N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]quinazolin-7-yl]amino]acetamide
• SMILES: NCOCCOCCOCCNC(=O)CNc1ccc2c(Nc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4)ncnc2c1
• InChI: InChI=1S/C30H36N8O7/c31-17-45-12-11-44-10-9-43-8-7-32-27(40)15-33-20-3-4-22-24(14-20)34-18-35-28(22)36-21-2-1-19-16-38(30(42)23(19)13-21)25-5-6-26(39)37-29(25)41/h1-4,13-14,18,25,33H,5-12,15-17,31H2,(H,32,40)(H,34,35,36)(H,37,39,41)
• InChIKey: LWPYXIOAGKDGEV-UHFFFAOYSA-N
• XLogP: 0.63
• TPSA: 199.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.67
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

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 N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]quinazolin-7-yl]amino]acetamide?

The IUPAC name of N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]quinazolin-7-yl]amino]acetamide (CID 156528041) is N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]quinazolin-7-yl]amino]acetamide.

What is the SMILES notation for N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]quinazolin-7-yl]amino]acetamide?

The canonical SMILES for N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]quinazolin-7-yl]amino]acetamide is NCOCCOCCOCCNC(=O)CNc1ccc2c(Nc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4)ncnc2c1.

What is the InChIKey of N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]quinazolin-7-yl]amino]acetamide?

The InChIKey is LWPYXIOAGKDGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N8O7/c31-17-45-12-11-44-10-9-43-8-7-32-27(40)15-33-20-3-4-22-24(14-20)34-18-35-28(22)36-21-2-1-19-16-38(30(42)23(19)13-21)25-5-6-26(39)37-29(25)41/h1-4,13-14,18,25,33H,5-12,15-17,31H2,(H,32,40)(H,34,35,36)(H,37,39,41).

What are the key properties of N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]quinazolin-7-yl]amino]acetamide?

N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]quinazolin-7-yl]amino]acetamide has a molecular weight of 620.67 g/mol, XLogP of 0.63, 16 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[4-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]quinazolin-7-yl]amino]acetamide is sourced from PubChem (CID 156528041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).