2-methoxyethyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate

C24H23FN4O5S — CID 139580205

About 2-methoxyethyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate

2-methoxyethyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate (PubChem CID 139580205) has the molecular formula C24H23FN4O5S and a molecular weight of 498.54 g/mol. Its IUPAC name is 2-methoxyethyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate.

Molecular Properties

• Compound Name: 2-methoxyethyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate
• PubChem CID: 139580205
• Molecular Formula: C24H23FN4O5S
• Molecular Weight: 498.54 g/mol
• Exact Mass: 498.14
• IUPAC Name: 2-methoxyethyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate
• SMILES: COCCOC(=O)NCC1Cc2c(c(F)cc3nc(-c4cc(C)cc5nc(OC)cnc45)sc23)O1
• InChI: InChI=1S/C24H23FN4O5S/c1-12-6-14(20-17(7-12)28-19(32-3)11-26-20)23-29-18-9-16(25)21-15(22(18)35-23)8-13(34-21)10-27-24(30)33-5-4-31-2/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,27,30)
• InChIKey: ZKSNSVOTPCTKNL-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 104.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.54
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate?

The IUPAC name of 2-methoxyethyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate (CID 139580205) is 2-methoxyethyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate.

What is the SMILES notation for 2-methoxyethyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate?

The canonical SMILES for 2-methoxyethyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate is COCCOC(=O)NCC1Cc2c(c(F)cc3nc(-c4cc(C)cc5nc(OC)cnc45)sc23)O1.

What is the InChIKey of 2-methoxyethyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate?

The InChIKey is ZKSNSVOTPCTKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O5S/c1-12-6-14(20-17(7-12)28-19(32-3)11-26-20)23-29-18-9-16(25)21-15(22(18)35-23)8-13(34-21)10-27-24(30)33-5-4-31-2/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,27,30).

What are the key properties of 2-methoxyethyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate?

2-methoxyethyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate has a molecular weight of 498.54 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl N-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate is sourced from PubChem (CID 139580205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).