N-[6-[2-amino-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide

C37H45N7O8 — CID 177188284

About N-[6-[2-amino-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide

N-[6-[2-amino-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide (PubChem CID 177188284) has the molecular formula C37H45N7O8 and a molecular weight of 715.81 g/mol. Its IUPAC name is N-[6-[2-amino-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide.

Molecular Properties

• Compound Name: N-[6-[2-amino-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
• PubChem CID: 177188284
• Molecular Formula: C37H45N7O8
• Molecular Weight: 715.81 g/mol
• Exact Mass: 715.33
• IUPAC Name: N-[6-[2-amino-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
• SMILES: COc1cc2c(CCCCCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nc(N)nc2cc1OCCCN1CCCC1
• InChI: InChI=1S/C37H45N7O8/c1-50-29-20-24-25(40-37(38)41-26(24)21-30(29)51-19-9-18-43-16-6-7-17-43)11-4-2-3-5-15-39-32(46)22-52-28-12-8-10-23-33(28)36(49)44(35(23)48)27-13-14-31(45)42-34(27)47/h8,10,12,20-21,27H,2-7,9,11,13-19,22H2,1H3,(H,39,46)(H2,38,40,41)(H,42,45,47)
• InChIKey: OBLMIBDXIIDETA-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 195.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.81
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-amino-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?

The IUPAC name of N-[6-[2-amino-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide (CID 177188284) is N-[6-[2-amino-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide.

What is the SMILES notation for N-[6-[2-amino-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?

The canonical SMILES for N-[6-[2-amino-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide is COc1cc2c(CCCCCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)nc(N)nc2cc1OCCCN1CCCC1.

What is the InChIKey of N-[6-[2-amino-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?

The InChIKey is OBLMIBDXIIDETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H45N7O8/c1-50-29-20-24-25(40-37(38)41-26(24)21-30(29)51-19-9-18-43-16-6-7-17-43)11-4-2-3-5-15-39-32(46)22-52-28-12-8-10-23-33(28)36(49)44(35(23)48)27-13-14-31(45)42-34(27)47/h8,10,12,20-21,27H,2-7,9,11,13-19,22H2,1H3,(H,39,46)(H2,38,40,41)(H,42,45,47).

What are the key properties of N-[6-[2-amino-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?

N-[6-[2-amino-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide has a molecular weight of 715.81 g/mol, XLogP of 2.78, 17 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-amino-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide is sourced from PubChem (CID 177188284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).