N-(4-anilinoquinolin-6-yl)-10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]decanamide

C40H42N6O7 — CID 156535636

About N-(4-anilinoquinolin-6-yl)-10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]decanamide

N-(4-anilinoquinolin-6-yl)-10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]decanamide (PubChem CID 156535636) has the molecular formula C40H42N6O7 and a molecular weight of 718.81 g/mol. Its IUPAC name is N-(4-anilinoquinolin-6-yl)-10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]decanamide.

Molecular Properties

• Compound Name: N-(4-anilinoquinolin-6-yl)-10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]decanamide
• PubChem CID: 156535636
• Molecular Formula: C40H42N6O7
• Molecular Weight: 718.81 g/mol
• Exact Mass: 718.31
• IUPAC Name: N-(4-anilinoquinolin-6-yl)-10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]decanamide
• SMILES: O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCC(=O)Nc1ccc2nccc(Nc3ccccc3)c2c1
• InChI: InChI=1S/C40H42N6O7/c47-34(44-27-17-18-30-29(24-27)31(21-23-41-30)43-26-12-7-6-8-13-26)16-9-4-2-1-3-5-10-22-42-36(49)25-53-33-15-11-14-28-37(33)40(52)46(39(28)51)32-19-20-35(48)45-38(32)50/h6-8,11-15,17-18,21,23-24,32H,1-5,9-10,16,19-20,22,25H2,(H,41,43)(H,42,49)(H,44,47)(H,45,48,50)
• InChIKey: DPMXPKFFZLLFGX-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 175.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.81
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

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-(4-anilinoquinolin-6-yl)-10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]decanamide?

The IUPAC name of N-(4-anilinoquinolin-6-yl)-10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]decanamide (CID 156535636) is N-(4-anilinoquinolin-6-yl)-10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]decanamide.

What is the SMILES notation for N-(4-anilinoquinolin-6-yl)-10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]decanamide?

The canonical SMILES for N-(4-anilinoquinolin-6-yl)-10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]decanamide is O=C(COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NCCCCCCCCCC(=O)Nc1ccc2nccc(Nc3ccccc3)c2c1.

What is the InChIKey of N-(4-anilinoquinolin-6-yl)-10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]decanamide?

The InChIKey is DPMXPKFFZLLFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42N6O7/c47-34(44-27-17-18-30-29(24-27)31(21-23-41-30)43-26-12-7-6-8-13-26)16-9-4-2-1-3-5-10-22-42-36(49)25-53-33-15-11-14-28-37(33)40(52)46(39(28)51)32-19-20-35(48)45-38(32)50/h6-8,11-15,17-18,21,23-24,32H,1-5,9-10,16,19-20,22,25H2,(H,41,43)(H,42,49)(H,44,47)(H,45,48,50).

What are the key properties of N-(4-anilinoquinolin-6-yl)-10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]decanamide?

N-(4-anilinoquinolin-6-yl)-10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]decanamide has a molecular weight of 718.81 g/mol, XLogP of 5.63, 17 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-anilinoquinolin-6-yl)-10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]decanamide is sourced from PubChem (CID 156535636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).