(3S)-3-[6-[(3S)-1-[[2-[(7S)-2-methyl-5-oxa-2-azaspiro[3.4]octan-7-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C34H37N5O5 — CID 176797614

About (3S)-3-[6-[(3S)-1-[[2-[(7S)-2-methyl-5-oxa-2-azaspiro[3.4]octan-7-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

(3S)-3-[6-[(3S)-1-[[2-[(7S)-2-methyl-5-oxa-2-azaspiro[3.4]octan-7-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 176797614) has the molecular formula C34H37N5O5 and a molecular weight of 595.70 g/mol. Its IUPAC name is (3S)-3-[6-[(3S)-1-[[2-[(7S)-2-methyl-5-oxa-2-azaspiro[3.4]octan-7-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: (3S)-3-[6-[(3S)-1-[[2-[(7S)-2-methyl-5-oxa-2-azaspiro[3.4]octan-7-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 176797614
• Molecular Formula: C34H37N5O5
• Molecular Weight: 595.70 g/mol
• Exact Mass: 595.28
• IUPAC Name: (3S)-3-[6-[(3S)-1-[[2-[(7S)-2-methyl-5-oxa-2-azaspiro[3.4]octan-7-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: CN1CC2(C[C@@H](c3ccc4cc(CN5CC[C@H](Oc6ccc7c(c6)CN([C@H]6CCC(=O)NC6=O)C7=O)C5)ccc4n3)CO2)C1
• InChI: InChI=1S/C34H37N5O5/c1-37-19-34(20-37)14-24(18-43-34)29-7-3-22-12-21(2-6-28(22)35-29)15-38-11-10-26(17-38)44-25-4-5-27-23(13-25)16-39(33(27)42)30-8-9-31(40)36-32(30)41/h2-7,12-13,24,26,30H,8-11,14-20H2,1H3,(H,36,40,41)/t24-,26+,30+/m1/s1
• InChIKey: JGNNSQYDNLWBSX-QVNGGLPSSA-N
• XLogP: 2.84
• TPSA: 104.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.70
LogP ≤ 5	2.84
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 (3S)-3-[6-[(3S)-1-[[2-[(7S)-2-methyl-5-oxa-2-azaspiro[3.4]octan-7-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of (3S)-3-[6-[(3S)-1-[[2-[(7S)-2-methyl-5-oxa-2-azaspiro[3.4]octan-7-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 176797614) is (3S)-3-[6-[(3S)-1-[[2-[(7S)-2-methyl-5-oxa-2-azaspiro[3.4]octan-7-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 (3S)-3-[6-[(3S)-1-[[2-[(7S)-2-methyl-5-oxa-2-azaspiro[3.4]octan-7-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for (3S)-3-[6-[(3S)-1-[[2-[(7S)-2-methyl-5-oxa-2-azaspiro[3.4]octan-7-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CN1CC2(C[C@@H](c3ccc4cc(CN5CC[C@H](Oc6ccc7c(c6)CN([C@H]6CCC(=O)NC6=O)C7=O)C5)ccc4n3)CO2)C1.

What is the InChIKey of (3S)-3-[6-[(3S)-1-[[2-[(7S)-2-methyl-5-oxa-2-azaspiro[3.4]octan-7-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is JGNNSQYDNLWBSX-QVNGGLPSSA-N. The full InChI is InChI=1S/C34H37N5O5/c1-37-19-34(20-37)14-24(18-43-34)29-7-3-22-12-21(2-6-28(22)35-29)15-38-11-10-26(17-38)44-25-4-5-27-23(13-25)16-39(33(27)42)30-8-9-31(40)36-32(30)41/h2-7,12-13,24,26,30H,8-11,14-20H2,1H3,(H,36,40,41)/t24-,26+,30+/m1/s1.

What are the key properties of (3S)-3-[6-[(3S)-1-[[2-[(7S)-2-methyl-5-oxa-2-azaspiro[3.4]octan-7-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

(3S)-3-[6-[(3S)-1-[[2-[(7S)-2-methyl-5-oxa-2-azaspiro[3.4]octan-7-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 595.70 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[6-[(3S)-1-[[2-[(7S)-2-methyl-5-oxa-2-azaspiro[3.4]octan-7-yl]quinolin-6-yl]methyl]pyrrolidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 176797614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).