2-(2,6-dioxopiperidin-3-yl)-5-[[[1-[2-(methylamino)acetyl]-3,4-dihydro-2H-quinolin-7-yl]amino]methyl]isoindole-1,3-dione

C26H27N5O5 — CID 167724746

About 2-(2,6-dioxopiperidin-3-yl)-5-[[[1-[2-(methylamino)acetyl]-3,4-dihydro-2H-quinolin-7-yl]amino]methyl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[[[1-[2-(methylamino)acetyl]-3,4-dihydro-2H-quinolin-7-yl]amino]methyl]isoindole-1,3-dione (PubChem CID 167724746) has the molecular formula C26H27N5O5 and a molecular weight of 489.53 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[[[1-[2-(methylamino)acetyl]-3,4-dihydro-2H-quinolin-7-yl]amino]methyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[[[1-[2-(methylamino)acetyl]-3,4-dihydro-2H-quinolin-7-yl]amino]methyl]isoindole-1,3-dione
• PubChem CID: 167724746
• Molecular Formula: C26H27N5O5
• Molecular Weight: 489.53 g/mol
• Exact Mass: 489.20
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[[[1-[2-(methylamino)acetyl]-3,4-dihydro-2H-quinolin-7-yl]amino]methyl]isoindole-1,3-dione
• SMILES: CNCC(=O)N1CCCc2ccc(NCc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)cc21
• InChI: InChI=1S/C26H27N5O5/c1-27-14-23(33)30-10-2-3-16-5-6-17(12-21(16)30)28-13-15-4-7-18-19(11-15)26(36)31(25(18)35)20-8-9-22(32)29-24(20)34/h4-7,11-12,20,27-28H,2-3,8-10,13-14H2,1H3,(H,29,32,34)
• InChIKey: KAMKMFLWOKKCMO-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 127.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.53
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[[[1-[2-(methylamino)acetyl]-3,4-dihydro-2H-quinolin-7-yl]amino]methyl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[[[1-[2-(methylamino)acetyl]-3,4-dihydro-2H-quinolin-7-yl]amino]methyl]isoindole-1,3-dione (CID 167724746) is 2-(2,6-dioxopiperidin-3-yl)-5-[[[1-[2-(methylamino)acetyl]-3,4-dihydro-2H-quinolin-7-yl]amino]methyl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[[[1-[2-(methylamino)acetyl]-3,4-dihydro-2H-quinolin-7-yl]amino]methyl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[[[1-[2-(methylamino)acetyl]-3,4-dihydro-2H-quinolin-7-yl]amino]methyl]isoindole-1,3-dione is CNCC(=O)N1CCCc2ccc(NCc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)cc21.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[[[1-[2-(methylamino)acetyl]-3,4-dihydro-2H-quinolin-7-yl]amino]methyl]isoindole-1,3-dione?

The InChIKey is KAMKMFLWOKKCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5/c1-27-14-23(33)30-10-2-3-16-5-6-17(12-21(16)30)28-13-15-4-7-18-19(11-15)26(36)31(25(18)35)20-8-9-22(32)29-24(20)34/h4-7,11-12,20,27-28H,2-3,8-10,13-14H2,1H3,(H,29,32,34).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[[[1-[2-(methylamino)acetyl]-3,4-dihydro-2H-quinolin-7-yl]amino]methyl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[[[1-[2-(methylamino)acetyl]-3,4-dihydro-2H-quinolin-7-yl]amino]methyl]isoindole-1,3-dione has a molecular weight of 489.53 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[[[1-[2-(methylamino)acetyl]-3,4-dihydro-2H-quinolin-7-yl]amino]methyl]isoindole-1,3-dione is sourced from PubChem (CID 167724746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).