4-(dimethylamino)-3-[[7-[3-[4-[1-[3-(2,4-dioxopiperidin-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidin-1-yl]propoxy]quinazolin-4-yl]amino]-N-methylbenzenesulfonamide

C43H54N8O8S — CID 167659165

About 4-(dimethylamino)-3-[[7-[3-[4-[1-[3-(2,4-dioxopiperidin-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidin-1-yl]propoxy]quinazolin-4-yl]amino]-N-methylbenzenesulfonamide

4-(dimethylamino)-3-[[7-[3-[4-[1-[3-(2,4-dioxopiperidin-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidin-1-yl]propoxy]quinazolin-4-yl]amino]-N-methylbenzenesulfonamide (PubChem CID 167659165) has the molecular formula C43H54N8O8S and a molecular weight of 843.02 g/mol. Its IUPAC name is 4-(dimethylamino)-3-[[7-[3-[4-[1-[3-(2,4-dioxopiperidin-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidin-1-yl]propoxy]quinazolin-4-yl]amino]-N-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: 4-(dimethylamino)-3-[[7-[3-[4-[1-[3-(2,4-dioxopiperidin-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidin-1-yl]propoxy]quinazolin-4-yl]amino]-N-methylbenzenesulfonamide
• PubChem CID: 167659165
• Molecular Formula: C43H54N8O8S
• Molecular Weight: 843.02 g/mol
• Exact Mass: 842.38
• IUPAC Name: 4-(dimethylamino)-3-[[7-[3-[4-[1-[3-(2,4-dioxopiperidin-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidin-1-yl]propoxy]quinazolin-4-yl]amino]-N-methylbenzenesulfonamide
• SMILES: CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OCCCN4CCC(OC5CCN(C(=O)c6ccc(OC)c(N7CCC(=O)CC7=O)c6)CC5)CC4)ccc23)c1
• InChI: InChI=1S/C43H54N8O8S/c1-44-60(55,56)34-8-10-38(48(2)3)37(27-34)47-42-35-9-7-33(26-36(35)45-28-46-42)58-23-5-17-49-18-13-31(14-19-49)59-32-15-20-50(21-16-32)43(54)29-6-11-40(57-4)39(24-29)51-22-12-30(52)25-41(51)53/h6-11,24,26-28,31-32,44H,5,12-23,25H2,1-4H3,(H,45,46,47)
• InChIKey: RRXUXJMLYTVVDX-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 175.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.02
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-[[7-[3-[4-[1-[3-(2,4-dioxopiperidin-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidin-1-yl]propoxy]quinazolin-4-yl]amino]-N-methylbenzenesulfonamide?

The IUPAC name of 4-(dimethylamino)-3-[[7-[3-[4-[1-[3-(2,4-dioxopiperidin-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidin-1-yl]propoxy]quinazolin-4-yl]amino]-N-methylbenzenesulfonamide (CID 167659165) is 4-(dimethylamino)-3-[[7-[3-[4-[1-[3-(2,4-dioxopiperidin-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidin-1-yl]propoxy]quinazolin-4-yl]amino]-N-methylbenzenesulfonamide.

What is the SMILES notation for 4-(dimethylamino)-3-[[7-[3-[4-[1-[3-(2,4-dioxopiperidin-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidin-1-yl]propoxy]quinazolin-4-yl]amino]-N-methylbenzenesulfonamide?

The canonical SMILES for 4-(dimethylamino)-3-[[7-[3-[4-[1-[3-(2,4-dioxopiperidin-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidin-1-yl]propoxy]quinazolin-4-yl]amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OCCCN4CCC(OC5CCN(C(=O)c6ccc(OC)c(N7CCC(=O)CC7=O)c6)CC5)CC4)ccc23)c1.

What is the InChIKey of 4-(dimethylamino)-3-[[7-[3-[4-[1-[3-(2,4-dioxopiperidin-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidin-1-yl]propoxy]quinazolin-4-yl]amino]-N-methylbenzenesulfonamide?

The InChIKey is RRXUXJMLYTVVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H54N8O8S/c1-44-60(55,56)34-8-10-38(48(2)3)37(27-34)47-42-35-9-7-33(26-36(35)45-28-46-42)58-23-5-17-49-18-13-31(14-19-49)59-32-15-20-50(21-16-32)43(54)29-6-11-40(57-4)39(24-29)51-22-12-30(52)25-41(51)53/h6-11,24,26-28,31-32,44H,5,12-23,25H2,1-4H3,(H,45,46,47).

What are the key properties of 4-(dimethylamino)-3-[[7-[3-[4-[1-[3-(2,4-dioxopiperidin-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidin-1-yl]propoxy]quinazolin-4-yl]amino]-N-methylbenzenesulfonamide?

4-(dimethylamino)-3-[[7-[3-[4-[1-[3-(2,4-dioxopiperidin-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidin-1-yl]propoxy]quinazolin-4-yl]amino]-N-methylbenzenesulfonamide has a molecular weight of 843.02 g/mol, XLogP of 4.61, 15 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-3-[[7-[3-[4-[1-[3-(2,4-dioxopiperidin-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidin-1-yl]propoxy]quinazolin-4-yl]amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 167659165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).