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

C30H35N7O8 — CID 156528267

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

N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-6-(quinazolin-4-ylamino)-3H-isoindol-4-yl]oxy]acetamide (PubChem CID 156528267) has the molecular formula C30H35N7O8 and a molecular weight of 621.65 g/mol. Its IUPAC name is N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-6-(quinazolin-4-ylamino)-3H-isoindol-4-yl]oxy]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-6-(quinazolin-4-ylamino)-3H-isoindol-4-yl]oxy]acetamide
• PubChem CID: 156528267
• Molecular Formula: C30H35N7O8
• Molecular Weight: 621.65 g/mol
• Exact Mass: 621.25
• IUPAC Name: N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-6-(quinazolin-4-ylamino)-3H-isoindol-4-yl]oxy]acetamide
• SMILES: NCOCCOCCOCCNC(=O)COc1cc(Nc2ncnc3ccccc23)cc2c1CN(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C30H35N7O8/c31-17-44-12-11-43-10-9-42-8-7-32-27(39)16-45-25-14-19(35-28-20-3-1-2-4-23(20)33-18-34-28)13-21-22(25)15-37(30(21)41)24-5-6-26(38)36-29(24)40/h1-4,13-14,18,24H,5-12,15-17,31H2,(H,32,39)(H,33,34,35)(H,36,38,40)
• InChIKey: VAVOLCUHDRWBOX-UHFFFAOYSA-N
• XLogP: 0.60
• TPSA: 196.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.65
LogP ≤ 5	0.60
H-Bond Donors ≤ 5	4
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-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-6-(quinazolin-4-ylamino)-3H-isoindol-4-yl]oxy]acetamide?

The IUPAC name of N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-6-(quinazolin-4-ylamino)-3H-isoindol-4-yl]oxy]acetamide (CID 156528267) is N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-6-(quinazolin-4-ylamino)-3H-isoindol-4-yl]oxy]acetamide.

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

The canonical SMILES for N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-6-(quinazolin-4-ylamino)-3H-isoindol-4-yl]oxy]acetamide is NCOCCOCCOCCNC(=O)COc1cc(Nc2ncnc3ccccc23)cc2c1CN(C1CCC(=O)NC1=O)C2=O.

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

The InChIKey is VAVOLCUHDRWBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O8/c31-17-44-12-11-43-10-9-42-8-7-32-27(39)16-45-25-14-19(35-28-20-3-1-2-4-23(20)33-18-34-28)13-21-22(25)15-37(30(21)41)24-5-6-26(38)36-29(24)40/h1-4,13-14,18,24H,5-12,15-17,31H2,(H,32,39)(H,33,34,35)(H,36,38,40).

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

N-[2-[2-[2-(aminomethoxy)ethoxy]ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-6-(quinazolin-4-ylamino)-3H-isoindol-4-yl]oxy]acetamide has a molecular weight of 621.65 g/mol, XLogP of 0.60, 16 rotatable bonds, 4 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-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-6-(quinazolin-4-ylamino)-3H-isoindol-4-yl]oxy]acetamide is sourced from PubChem (CID 156528267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).