3-[6-[(3S)-1-[[2-[(3aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C33H35N5O5 — CID 170707752

About 3-[6-[(3S)-1-[[2-[(3aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[(3S)-1-[[2-[(3aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 170707752) has the molecular formula C33H35N5O5 and a molecular weight of 581.67 g/mol. Its IUPAC name is 3-[6-[(3S)-1-[[2-[(3aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[(3S)-1-[[2-[(3aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 170707752
• Molecular Formula: C33H35N5O5
• Molecular Weight: 581.67 g/mol
• Exact Mass: 581.26
• IUPAC Name: 3-[6-[(3S)-1-[[2-[(3aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: O=C1CCC(N2Cc3cc(O[C@H]4CCN(Cc5ccc6nc(N7CC8COC[C@@H]8C7)ccc6c5)C4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C33H35N5O5/c39-31-8-6-29(32(40)35-31)38-16-22-12-25(3-4-27(22)33(38)41)43-26-9-10-36(17-26)13-20-1-5-28-21(11-20)2-7-30(34-28)37-14-23-18-42-19-24(23)15-37/h1-5,7,11-12,23-24,26,29H,6,8-10,13-19H2,(H,35,39,40)/t23-,24?,26-,29?/m0/s1
• InChIKey: VDQBYMPVZHSRDR-VKITVIMWSA-N
• XLogP: 2.73
• TPSA: 104.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.67
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3S)-1-[[2-[(3aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[(3S)-1-[[2-[(3aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 170707752) is 3-[6-[(3S)-1-[[2-[(3aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]quinolin-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-[(3S)-1-[[2-[(3aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[(3S)-1-[[2-[(3aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(O[C@H]4CCN(Cc5ccc6nc(N7CC8COC[C@@H]8C7)ccc6c5)C4)ccc3C2=O)C(=O)N1.

What is the InChIKey of 3-[6-[(3S)-1-[[2-[(3aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is VDQBYMPVZHSRDR-VKITVIMWSA-N. The full InChI is InChI=1S/C33H35N5O5/c39-31-8-6-29(32(40)35-31)38-16-22-12-25(3-4-27(22)33(38)41)43-26-9-10-36(17-26)13-20-1-5-28-21(11-20)2-7-30(34-28)37-14-23-18-42-19-24(23)15-37/h1-5,7,11-12,23-24,26,29H,6,8-10,13-19H2,(H,35,39,40)/t23-,24?,26-,29?/m0/s1.

What are the key properties of 3-[6-[(3S)-1-[[2-[(3aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

3-[6-[(3S)-1-[[2-[(3aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 581.67 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[(3S)-1-[[2-[(3aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 170707752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).