4-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]butanamide

C32H32FN7O8S — CID 166549517

About 4-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]butanamide

4-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]butanamide (PubChem CID 166549517) has the molecular formula C32H32FN7O8S and a molecular weight of 693.71 g/mol. Its IUPAC name is 4-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]butanamide.

Molecular Properties

• Compound Name: 4-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]butanamide
• PubChem CID: 166549517
• Molecular Formula: C32H32FN7O8S
• Molecular Weight: 693.71 g/mol
• Exact Mass: 693.20
• IUPAC Name: 4-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]butanamide
• SMILES: Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc3c(c21)CCCN3CCCC(=O)Nc1ccc2c(F)c(N3CC(=O)NS3(=O)=O)c(O)cc2c1
• InChI: InChI=1S/C32H32FN7O8S/c1-37-29-20-4-2-12-38(21(20)8-9-22(29)40(32(37)46)23-10-11-26(43)35-31(23)45)13-3-5-25(42)34-18-6-7-19-17(14-18)15-24(41)30(28(19)33)39-16-27(44)36-49(39,47)48/h6-9,14-15,23,41H,2-5,10-13,16H2,1H3,(H,34,42)(H,36,44)(H,35,43,45)
• InChIKey: JFHJDXNDESXFCL-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 192.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.71
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]butanamide?

The IUPAC name of 4-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]butanamide (CID 166549517) is 4-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]butanamide.

What is the SMILES notation for 4-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]butanamide?

The canonical SMILES for 4-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]butanamide is Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc3c(c21)CCCN3CCCC(=O)Nc1ccc2c(F)c(N3CC(=O)NS3(=O)=O)c(O)cc2c1.

What is the InChIKey of 4-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]butanamide?

The InChIKey is JFHJDXNDESXFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FN7O8S/c1-37-29-20-4-2-12-38(21(20)8-9-22(29)40(32(37)46)23-10-11-26(43)35-31(23)45)13-3-5-25(42)34-18-6-7-19-17(14-18)15-24(41)30(28(19)33)39-16-27(44)36-49(39,47)48/h6-9,14-15,23,41H,2-5,10-13,16H2,1H3,(H,34,42)(H,36,44)(H,35,43,45).

What are the key properties of 4-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]butanamide?

4-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]butanamide has a molecular weight of 693.71 g/mol, XLogP of 1.67, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(2,6-dioxopiperidin-3-yl)-1-methyl-2-oxo-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-N-[5-fluoro-7-hydroxy-6-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]butanamide is sourced from PubChem (CID 166549517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).