3-[3-oxo-6-[2-(3-quinolin-7-ylazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione

C30H30N4O4 — CID 166469791

About 3-[3-oxo-6-[2-(3-quinolin-7-ylazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-6-[2-(3-quinolin-7-ylazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 166469791) has the molecular formula C30H30N4O4 and a molecular weight of 510.59 g/mol. Its IUPAC name is 3-[3-oxo-6-[2-(3-quinolin-7-ylazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[3-oxo-6-[2-(3-quinolin-7-ylazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 166469791
• Molecular Formula: C30H30N4O4
• Molecular Weight: 510.59 g/mol
• Exact Mass: 510.23
• IUPAC Name: 3-[3-oxo-6-[2-(3-quinolin-7-ylazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3cc(OC4CCCC4N4CC(c5ccc6cccnc6c5)C4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C30H30N4O4/c35-28-11-10-26(29(36)32-28)34-17-20-13-22(8-9-23(20)30(34)37)38-27-5-1-4-25(27)33-15-21(16-33)19-7-6-18-3-2-12-31-24(18)14-19/h2-3,6-9,12-14,21,25-27H,1,4-5,10-11,15-17H2,(H,32,35,36)
• InChIKey: GFXPPGYWXIHWTM-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 91.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.59
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-6-[2-(3-quinolin-7-ylazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[3-oxo-6-[2-(3-quinolin-7-ylazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione (CID 166469791) is 3-[3-oxo-6-[2-(3-quinolin-7-ylazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[3-oxo-6-[2-(3-quinolin-7-ylazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[3-oxo-6-[2-(3-quinolin-7-ylazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(OC4CCCC4N4CC(c5ccc6cccnc6c5)C4)ccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[3-oxo-6-[2-(3-quinolin-7-ylazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is GFXPPGYWXIHWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4/c35-28-11-10-26(29(36)32-28)34-17-20-13-22(8-9-23(20)30(34)37)38-27-5-1-4-25(27)33-15-21(16-33)19-7-6-18-3-2-12-31-24(18)14-19/h2-3,6-9,12-14,21,25-27H,1,4-5,10-11,15-17H2,(H,32,35,36).

What are the key properties of 3-[3-oxo-6-[2-(3-quinolin-7-ylazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[3-oxo-6-[2-(3-quinolin-7-ylazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 510.59 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-oxo-6-[2-(3-quinolin-7-ylazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166469791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).