2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[[5-fluoro-2-(oxan-4-ylsulfanylmethyl)-4-oxo-3H-quinazolin-7-yl]oxymethyl]piperidin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione

C37H41FN6O7S — CID 170749625

About 2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[[5-fluoro-2-(oxan-4-ylsulfanylmethyl)-4-oxo-3H-quinazolin-7-yl]oxymethyl]piperidin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[[5-fluoro-2-(oxan-4-ylsulfanylmethyl)-4-oxo-3H-quinazolin-7-yl]oxymethyl]piperidin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione (PubChem CID 170749625) has the molecular formula C37H41FN6O7S and a molecular weight of 732.83 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[[5-fluoro-2-(oxan-4-ylsulfanylmethyl)-4-oxo-3H-quinazolin-7-yl]oxymethyl]piperidin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[[5-fluoro-2-(oxan-4-ylsulfanylmethyl)-4-oxo-3H-quinazolin-7-yl]oxymethyl]piperidin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione
• PubChem CID: 170749625
• Molecular Formula: C37H41FN6O7S
• Molecular Weight: 732.83 g/mol
• Exact Mass: 732.27
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[[5-fluoro-2-(oxan-4-ylsulfanylmethyl)-4-oxo-3H-quinazolin-7-yl]oxymethyl]piperidin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(N4CC(CN5CCC(COc6cc(F)c7c(=O)[nH]c(CSC8CCOCC8)nc7c6)CC5)C4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C37H41FN6O7S/c38-28-14-24(15-29-33(28)35(47)40-31(39-29)20-52-25-7-11-50-12-8-25)51-19-21-5-9-42(10-6-21)16-22-17-43(18-22)23-1-2-26-27(13-23)37(49)44(36(26)48)30-3-4-32(45)41-34(30)46/h1-2,13-15,21-22,25,30H,3-12,16-20H2,(H,39,40,47)(H,41,45,46)
• InChIKey: YVMDNGXWOJLMTI-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 154.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.83
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[[5-fluoro-2-(oxan-4-ylsulfanylmethyl)-4-oxo-3H-quinazolin-7-yl]oxymethyl]piperidin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[[5-fluoro-2-(oxan-4-ylsulfanylmethyl)-4-oxo-3H-quinazolin-7-yl]oxymethyl]piperidin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione (CID 170749625) is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[[5-fluoro-2-(oxan-4-ylsulfanylmethyl)-4-oxo-3H-quinazolin-7-yl]oxymethyl]piperidin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[[5-fluoro-2-(oxan-4-ylsulfanylmethyl)-4-oxo-3H-quinazolin-7-yl]oxymethyl]piperidin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[[5-fluoro-2-(oxan-4-ylsulfanylmethyl)-4-oxo-3H-quinazolin-7-yl]oxymethyl]piperidin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(N4CC(CN5CCC(COc6cc(F)c7c(=O)[nH]c(CSC8CCOCC8)nc7c6)CC5)C4)cc3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[[5-fluoro-2-(oxan-4-ylsulfanylmethyl)-4-oxo-3H-quinazolin-7-yl]oxymethyl]piperidin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione?

The InChIKey is YVMDNGXWOJLMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41FN6O7S/c38-28-14-24(15-29-33(28)35(47)40-31(39-29)20-52-25-7-11-50-12-8-25)51-19-21-5-9-42(10-6-21)16-22-17-43(18-22)23-1-2-26-27(13-23)37(49)44(36(26)48)30-3-4-32(45)41-34(30)46/h1-2,13-15,21-22,25,30H,3-12,16-20H2,(H,39,40,47)(H,41,45,46).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[[5-fluoro-2-(oxan-4-ylsulfanylmethyl)-4-oxo-3H-quinazolin-7-yl]oxymethyl]piperidin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[[5-fluoro-2-(oxan-4-ylsulfanylmethyl)-4-oxo-3H-quinazolin-7-yl]oxymethyl]piperidin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione has a molecular weight of 732.83 g/mol, XLogP of 3.10, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[[4-[[5-fluoro-2-(oxan-4-ylsulfanylmethyl)-4-oxo-3H-quinazolin-7-yl]oxymethyl]piperidin-1-yl]methyl]azetidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 170749625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).