2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[(3-methyl-4-oxoquinazolin-6-yl)methyl]piperidin-4-yl]isoindole-1,3-dione

C28H27N5O6 — CID 166105752

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[(3-methyl-4-oxoquinazolin-6-yl)methyl]piperidin-4-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[(3-methyl-4-oxoquinazolin-6-yl)methyl]piperidin-4-yl]isoindole-1,3-dione (PubChem CID 166105752) has the molecular formula C28H27N5O6 and a molecular weight of 529.55 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[(3-methyl-4-oxoquinazolin-6-yl)methyl]piperidin-4-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[(3-methyl-4-oxoquinazolin-6-yl)methyl]piperidin-4-yl]isoindole-1,3-dione
• PubChem CID: 166105752
• Molecular Formula: C28H27N5O6
• Molecular Weight: 529.55 g/mol
• Exact Mass: 529.20
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[(3-methyl-4-oxoquinazolin-6-yl)methyl]piperidin-4-yl]isoindole-1,3-dione
• SMILES: Cn1cnc2ccc(CN3CCC(O)(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2c1=O
• InChI: InChI=1S/C28H27N5O6/c1-31-15-29-21-5-2-16(12-20(21)25(31)36)14-32-10-8-28(39,9-11-32)17-3-4-18-19(13-17)27(38)33(26(18)37)22-6-7-23(34)30-24(22)35/h2-5,12-13,15,22,39H,6-11,14H2,1H3,(H,30,34,35)
• InChIKey: RUSBUJCCNKWMNH-UHFFFAOYSA-N
• XLogP: 0.82
• TPSA: 141.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.55
LogP ≤ 5	0.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-[4-hydroxy-1-[(3-methyl-4-oxoquinazolin-6-yl)methyl]piperidin-4-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[(3-methyl-4-oxoquinazolin-6-yl)methyl]piperidin-4-yl]isoindole-1,3-dione (CID 166105752) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[(3-methyl-4-oxoquinazolin-6-yl)methyl]piperidin-4-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[(3-methyl-4-oxoquinazolin-6-yl)methyl]piperidin-4-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[(3-methyl-4-oxoquinazolin-6-yl)methyl]piperidin-4-yl]isoindole-1,3-dione is Cn1cnc2ccc(CN3CCC(O)(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2c1=O.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[(3-methyl-4-oxoquinazolin-6-yl)methyl]piperidin-4-yl]isoindole-1,3-dione?

The InChIKey is RUSBUJCCNKWMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O6/c1-31-15-29-21-5-2-16(12-20(21)25(31)36)14-32-10-8-28(39,9-11-32)17-3-4-18-19(13-17)27(38)33(26(18)37)22-6-7-23(34)30-24(22)35/h2-5,12-13,15,22,39H,6-11,14H2,1H3,(H,30,34,35).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[(3-methyl-4-oxoquinazolin-6-yl)methyl]piperidin-4-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[(3-methyl-4-oxoquinazolin-6-yl)methyl]piperidin-4-yl]isoindole-1,3-dione has a molecular weight of 529.55 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-hydroxy-1-[(3-methyl-4-oxoquinazolin-6-yl)methyl]piperidin-4-yl]isoindole-1,3-dione is sourced from PubChem (CID 166105752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).