2-[6-[[5-chloro-2-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide

C37H37ClN8O9 — CID 166077825

About 2-[6-[[5-chloro-2-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide

2-[6-[[5-chloro-2-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide (PubChem CID 166077825) has the molecular formula C37H37ClN8O9 and a molecular weight of 773.20 g/mol. Its IUPAC name is 2-[6-[[5-chloro-2-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[6-[[5-chloro-2-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide
• PubChem CID: 166077825
• Molecular Formula: C37H37ClN8O9
• Molecular Weight: 773.20 g/mol
• Exact Mass: 772.24
• IUPAC Name: 2-[6-[[5-chloro-2-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide
• SMILES: CNC(=O)COc1cc2cc(Nc3nc(N4CC(C)OC(C)C4)ncc3Cl)ccc2n(CCOc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)c1=O
• InChI: InChI=1S/C37H37ClN8O9/c1-19-16-44(17-20(2)55-19)37-40-15-26(38)32(43-37)41-22-4-7-27-21(12-22)13-29(54-18-31(48)39-3)36(52)45(27)10-11-53-23-5-6-24-25(14-23)35(51)46(34(24)50)28-8-9-30(47)42-33(28)49/h4-7,12-15,19-20,28H,8-11,16-18H2,1-3H3,(H,39,48)(H,40,41,43)(H,42,47,49)
• InChIKey: BBYCVOKGHAXYGY-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 203.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.20
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[5-chloro-2-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide?

The IUPAC name of 2-[6-[[5-chloro-2-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide (CID 166077825) is 2-[6-[[5-chloro-2-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide.

What is the SMILES notation for 2-[6-[[5-chloro-2-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide?

The canonical SMILES for 2-[6-[[5-chloro-2-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide is CNC(=O)COc1cc2cc(Nc3nc(N4CC(C)OC(C)C4)ncc3Cl)ccc2n(CCOc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)c1=O.

What is the InChIKey of 2-[6-[[5-chloro-2-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide?

The InChIKey is BBYCVOKGHAXYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37ClN8O9/c1-19-16-44(17-20(2)55-19)37-40-15-26(38)32(43-37)41-22-4-7-27-21(12-22)13-29(54-18-31(48)39-3)36(52)45(27)10-11-53-23-5-6-24-25(14-23)35(51)46(34(24)50)28-8-9-30(47)42-33(28)49/h4-7,12-15,19-20,28H,8-11,16-18H2,1-3H3,(H,39,48)(H,40,41,43)(H,42,47,49).

What are the key properties of 2-[6-[[5-chloro-2-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide?

2-[6-[[5-chloro-2-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide has a molecular weight of 773.20 g/mol, XLogP of 2.41, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[[5-chloro-2-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]-2-oxoquinolin-3-yl]oxy-N-methylacetamide is sourced from PubChem (CID 166077825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).