3-[6-[1-[[2-(6-oxa-1-azaspiro[3.3]heptan-1-yl)quinazolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C31H32N6O5 — CID 174208582

About 3-[6-[1-[[2-(6-oxa-1-azaspiro[3.3]heptan-1-yl)quinazolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[1-[[2-(6-oxa-1-azaspiro[3.3]heptan-1-yl)quinazolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 174208582) has the molecular formula C31H32N6O5 and a molecular weight of 568.63 g/mol. Its IUPAC name is 3-[6-[1-[[2-(6-oxa-1-azaspiro[3.3]heptan-1-yl)quinazolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[1-[[2-(6-oxa-1-azaspiro[3.3]heptan-1-yl)quinazolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 174208582
• Molecular Formula: C31H32N6O5
• Molecular Weight: 568.63 g/mol
• Exact Mass: 568.24
• IUPAC Name: 3-[6-[1-[[2-(6-oxa-1-azaspiro[3.3]heptan-1-yl)quinazolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3cc(OC4CCN(Cc5ccc6nc(N7CCC78COC8)ncc6c5)C4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C31H32N6O5/c38-27-6-5-26(28(39)34-27)36-15-21-12-22(2-3-24(21)29(36)40)42-23-7-9-35(16-23)14-19-1-4-25-20(11-19)13-32-30(33-25)37-10-8-31(37)17-41-18-31/h1-4,11-13,23,26H,5-10,14-18H2,(H,34,38,39)
• InChIKey: YPRSKNJXVXGCLL-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 117.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.63
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
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 3-[6-[1-[[2-(6-oxa-1-azaspiro[3.3]heptan-1-yl)quinazolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[1-[[2-(6-oxa-1-azaspiro[3.3]heptan-1-yl)quinazolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 174208582) is 3-[6-[1-[[2-(6-oxa-1-azaspiro[3.3]heptan-1-yl)quinazolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[1-[[2-(6-oxa-1-azaspiro[3.3]heptan-1-yl)quinazolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[1-[[2-(6-oxa-1-azaspiro[3.3]heptan-1-yl)quinazolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(OC4CCN(Cc5ccc6nc(N7CCC78COC8)ncc6c5)C4)ccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[6-[1-[[2-(6-oxa-1-azaspiro[3.3]heptan-1-yl)quinazolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is YPRSKNJXVXGCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6O5/c38-27-6-5-26(28(39)34-27)36-15-21-12-22(2-3-24(21)29(36)40)42-23-7-9-35(16-23)14-19-1-4-25-20(11-19)13-32-30(33-25)37-10-8-31(37)17-41-18-31/h1-4,11-13,23,26H,5-10,14-18H2,(H,34,38,39).

What are the key properties of 3-[6-[1-[[2-(6-oxa-1-azaspiro[3.3]heptan-1-yl)quinazolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[1-[[2-(6-oxa-1-azaspiro[3.3]heptan-1-yl)quinazolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 568.63 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[1-[[2-(6-oxa-1-azaspiro[3.3]heptan-1-yl)quinazolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 174208582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).