4-anilino-6-[N-[10-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]decyl]anilino]-N-methylquinoline-3-carboxamide

C48H52N8O6 — CID 156579393

About 4-anilino-6-[N-[10-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]decyl]anilino]-N-methylquinoline-3-carboxamide

4-anilino-6-[N-[10-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]decyl]anilino]-N-methylquinoline-3-carboxamide (PubChem CID 156579393) has the molecular formula C48H52N8O6 and a molecular weight of 836.99 g/mol. Its IUPAC name is 4-anilino-6-[N-[10-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]decyl]anilino]-N-methylquinoline-3-carboxamide.

Molecular Properties

• Compound Name: 4-anilino-6-[N-[10-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]decyl]anilino]-N-methylquinoline-3-carboxamide
• PubChem CID: 156579393
• Molecular Formula: C48H52N8O6
• Molecular Weight: 836.99 g/mol
• Exact Mass: 836.40
• IUPAC Name: 4-anilino-6-[N-[10-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]decyl]anilino]-N-methylquinoline-3-carboxamide
• SMILES: CNC(=O)c1cnc2ccc(N(CCCCCCCCCCNC(=O)CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c3ccccc3)cc2c1Nc1ccccc1
• InChI: InChI=1S/C48H52N8O6/c1-49-45(59)37-30-51-38-24-23-34(29-36(38)44(37)53-32-17-10-8-11-18-32)55(33-19-12-9-13-20-33)28-15-7-5-3-2-4-6-14-27-50-42(58)31-52-39-22-16-21-35-43(39)48(62)56(47(35)61)40-25-26-41(57)54-46(40)60/h8-13,16-24,29-30,40,52H,2-7,14-15,25-28,31H2,1H3,(H,49,59)(H,50,58)(H,51,53)(H,54,57,60)
• InChIKey: KBSJYMSWDRRYOV-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 181.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	836.99
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	5
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 4-anilino-6-[N-[10-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]decyl]anilino]-N-methylquinoline-3-carboxamide?

The IUPAC name of 4-anilino-6-[N-[10-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]decyl]anilino]-N-methylquinoline-3-carboxamide (CID 156579393) is 4-anilino-6-[N-[10-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]decyl]anilino]-N-methylquinoline-3-carboxamide.

What is the SMILES notation for 4-anilino-6-[N-[10-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]decyl]anilino]-N-methylquinoline-3-carboxamide?

The canonical SMILES for 4-anilino-6-[N-[10-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]decyl]anilino]-N-methylquinoline-3-carboxamide is CNC(=O)c1cnc2ccc(N(CCCCCCCCCCNC(=O)CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c3ccccc3)cc2c1Nc1ccccc1.

What is the InChIKey of 4-anilino-6-[N-[10-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]decyl]anilino]-N-methylquinoline-3-carboxamide?

The InChIKey is KBSJYMSWDRRYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52N8O6/c1-49-45(59)37-30-51-38-24-23-34(29-36(38)44(37)53-32-17-10-8-11-18-32)55(33-19-12-9-13-20-33)28-15-7-5-3-2-4-6-14-27-50-42(58)31-52-39-22-16-21-35-43(39)48(62)56(47(35)61)40-25-26-41(57)54-46(40)60/h8-13,16-24,29-30,40,52H,2-7,14-15,25-28,31H2,1H3,(H,49,59)(H,50,58)(H,51,53)(H,54,57,60).

What are the key properties of 4-anilino-6-[N-[10-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]decyl]anilino]-N-methylquinoline-3-carboxamide?

4-anilino-6-[N-[10-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]decyl]anilino]-N-methylquinoline-3-carboxamide has a molecular weight of 836.99 g/mol, XLogP of 7.23, 20 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-anilino-6-[N-[10-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]decyl]anilino]-N-methylquinoline-3-carboxamide is sourced from PubChem (CID 156579393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).