2-[2-[2-[2-[4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide

C38H43N11O11 — CID 164517028

IUPAC2-[2-[2-[2-[4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
SMILESCOc1cc2nc(N3CCN(C(=O)c4cn(CCOCCOCCOCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)nn4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C38H43N11O11/c1-56-28-18-23-25(19-29(28)57-2)41-38(43-33(23)39)47-10-8-46(9-11-47)36(54)26-20-48(45-44-26)12-13-58-14-15-59-16-17-60-21-31(51)40-24-5-3-4-22-32(24)37(55)49(35(22)53)27-6-7-30(50)42-34(27)52/h3-5,18-20,27H,6-17,21H2,1-2H3,(H,40,51)(H2,39,41,43)(H,42,50,52)
InChIKeySFODRSARUJDQSA-UHFFFAOYSA-N
MW829.83 g/mol
LogP-0.13
Rot. Bonds17

About 2-[2-[2-[2-[4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide

2-[2-[2-[2-[4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide (PubChem CID 164517028) has the molecular formula C38H43N11O11 and a molecular weight of 829.83 g/mol. Its IUPAC name is 2-[2-[2-[2-[4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-[2-[2-[4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
PubChem CID164517028
Molecular FormulaC38H43N11O11
Molecular Weight829.83 g/mol
Exact Mass829.31
IUPAC Name2-[2-[2-[2-[4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
SMILESCOc1cc2nc(N3CCN(C(=O)c4cn(CCOCCOCCOCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)nn4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C38H43N11O11/c1-56-28-18-23-25(19-29(28)57-2)41-38(43-33(23)39)47-10-8-46(9-11-47)36(54)26-20-48(45-44-26)12-13-58-14-15-59-16-17-60-21-31(51)40-24-5-3-4-22-32(24)37(55)49(35(22)53)27-6-7-30(50)42-34(27)52/h3-5,18-20,27H,6-17,21H2,1-2H3,(H,40,51)(H2,39,41,43)(H,42,50,52)
InChIKeySFODRSARUJDQSA-UHFFFAOYSA-N
XLogP-0.13
TPSA264.86 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.83
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
The IUPAC name of 2-[2-[2-[2-[4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide (CID 164517028) is 2-[2-[2-[2-[4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide.
What is the SMILES notation for 2-[2-[2-[2-[4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
The canonical SMILES for 2-[2-[2-[2-[4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide is COc1cc2nc(N3CCN(C(=O)c4cn(CCOCCOCCOCC(=O)Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)nn4)CC3)nc(N)c2cc1OC.
What is the InChIKey of 2-[2-[2-[2-[4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
The InChIKey is SFODRSARUJDQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43N11O11/c1-56-28-18-23-25(19-29(28)57-2)41-38(43-33(23)39)47-10-8-46(9-11-47)36(54)26-20-48(45-44-26)12-13-58-14-15-59-16-17-60-21-31(51)40-24-5-3-4-22-32(24)37(55)49(35(22)53)27-6-7-30(50)42-34(27)52/h3-5,18-20,27H,6-17,21H2,1-2H3,(H,40,51)(H2,39,41,43)(H,42,50,52).
What are the key properties of 2-[2-[2-[2-[4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
2-[2-[2-[2-[4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide has a molecular weight of 829.83 g/mol, XLogP of -0.13, 17 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[4-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carbonyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide is sourced from PubChem (CID 164517028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).