ethyl 7-[7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate

C30H39FN2O4SSi — CID 59888923

About ethyl 7-[7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 7-[7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 59888923) has the molecular formula C30H39FN2O4SSi and a molecular weight of 570.80 g/mol. Its IUPAC name is ethyl 7-[7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 7-[7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
• PubChem CID: 59888923
• Molecular Formula: C30H39FN2O4SSi
• Molecular Weight: 570.80 g/mol
• Exact Mass: 570.24
• IUPAC Name: ethyl 7-[7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate
• SMILES: CCOC(=O)c1cn(C2CC2)c2nc(-c3cc4c(s3)C(O[Si](C)(C)C(C)(C)C)C(C)(C)CC4)c(F)cc2c1=O
• InChI: InChI=1S/C30H39FN2O4SSi/c1-9-36-28(35)20-16-33(18-10-11-18)27-19(24(20)34)15-21(31)23(32-27)22-14-17-12-13-30(5,6)26(25(17)38-22)37-39(7,8)29(2,3)4/h14-16,18,26H,9-13H2,1-8H3
• InChIKey: JTQJZKIUWTVTEK-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 70.42 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.80
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate?

The IUPAC name of ethyl 7-[7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate (CID 59888923) is ethyl 7-[7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate.

What is the SMILES notation for ethyl 7-[7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate?

The canonical SMILES for ethyl 7-[7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(C2CC2)c2nc(-c3cc4c(s3)C(O[Si](C)(C)C(C)(C)C)C(C)(C)CC4)c(F)cc2c1=O.

What is the InChIKey of ethyl 7-[7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate?

The InChIKey is JTQJZKIUWTVTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39FN2O4SSi/c1-9-36-28(35)20-16-33(18-10-11-18)27-19(24(20)34)15-21(31)23(32-27)22-14-17-12-13-30(5,6)26(25(17)38-22)37-39(7,8)29(2,3)4/h14-16,18,26H,9-13H2,1-8H3.

What are the key properties of ethyl 7-[7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate?

ethyl 7-[7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 570.80 g/mol, XLogP of 7.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 7-[7-[tert-butyl(dimethyl)silyl]oxy-6,6-dimethyl-5,7-dihydro-4H-1-benzothiophen-2-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 59888923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).