N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-2-[4-(4-quinolin-2-ylpyrazol-1-yl)piperidin-1-yl]acetamide

C35H36N8O5 — CID 169092254

About N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-2-[4-(4-quinolin-2-ylpyrazol-1-yl)piperidin-1-yl]acetamide

N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-2-[4-(4-quinolin-2-ylpyrazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 169092254) has the molecular formula C35H36N8O5 and a molecular weight of 648.72 g/mol. Its IUPAC name is N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-2-[4-(4-quinolin-2-ylpyrazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-2-[4-(4-quinolin-2-ylpyrazol-1-yl)piperidin-1-yl]acetamide
• PubChem CID: 169092254
• Molecular Formula: C35H36N8O5
• Molecular Weight: 648.72 g/mol
• Exact Mass: 648.28
• IUPAC Name: N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-2-[4-(4-quinolin-2-ylpyrazol-1-yl)piperidin-1-yl]acetamide
• SMILES: O=C(CN1CCC(n2cc(-c3ccc4ccccc4n3)cn2)CC1)NCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C35H36N8O5/c44-31-11-10-30(33(46)40-31)43-34(47)26-8-7-24(18-27(26)35(43)48)36-14-3-15-37-32(45)21-41-16-12-25(13-17-41)42-20-23(19-38-42)29-9-6-22-4-1-2-5-28(22)39-29/h1-2,4-9,18-20,25,30,36H,3,10-17,21H2,(H,37,45)(H,40,44,46)
• InChIKey: ZRAGAWKJMAJUKD-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 158.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	648.72
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-2-[4-(4-quinolin-2-ylpyrazol-1-yl)piperidin-1-yl]acetamide?

The IUPAC name of N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-2-[4-(4-quinolin-2-ylpyrazol-1-yl)piperidin-1-yl]acetamide (CID 169092254) is N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-2-[4-(4-quinolin-2-ylpyrazol-1-yl)piperidin-1-yl]acetamide.

What is the SMILES notation for N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-2-[4-(4-quinolin-2-ylpyrazol-1-yl)piperidin-1-yl]acetamide?

The canonical SMILES for N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-2-[4-(4-quinolin-2-ylpyrazol-1-yl)piperidin-1-yl]acetamide is O=C(CN1CCC(n2cc(-c3ccc4ccccc4n3)cn2)CC1)NCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-2-[4-(4-quinolin-2-ylpyrazol-1-yl)piperidin-1-yl]acetamide?

The InChIKey is ZRAGAWKJMAJUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N8O5/c44-31-11-10-30(33(46)40-31)43-34(47)26-8-7-24(18-27(26)35(43)48)36-14-3-15-37-32(45)21-41-16-12-25(13-17-41)42-20-23(19-38-42)29-9-6-22-4-1-2-5-28(22)39-29/h1-2,4-9,18-20,25,30,36H,3,10-17,21H2,(H,37,45)(H,40,44,46).

What are the key properties of N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-2-[4-(4-quinolin-2-ylpyrazol-1-yl)piperidin-1-yl]acetamide?

N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-2-[4-(4-quinolin-2-ylpyrazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 648.72 g/mol, XLogP of 2.75, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-2-[4-(4-quinolin-2-ylpyrazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 169092254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).