[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate

C28H20N4O6S — CID 23831474

About [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate

[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate (PubChem CID 23831474) has the molecular formula C28H20N4O6S and a molecular weight of 540.56 g/mol. Its IUPAC name is [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate.

Molecular Properties

• Compound Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
• PubChem CID: 23831474
• Molecular Formula: C28H20N4O6S
• Molecular Weight: 540.56 g/mol
• Exact Mass: 540.11
• IUPAC Name: [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
• SMILES: CCOc1ccc2nc(NC(=O)COC(=O)c3ccc4nc(-c5ccco5)c(-c5ccco5)nc4c3)sc2c1
• InChI: InChI=1S/C28H20N4O6S/c1-2-35-17-8-10-19-23(14-17)39-28(31-19)32-24(33)15-38-27(34)16-7-9-18-20(13-16)30-26(22-6-4-12-37-22)25(29-18)21-5-3-11-36-21/h3-14H,2,15H2,1H3,(H,31,32,33)
• InChIKey: VZLBBUHFDRITJX-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 129.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.56
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?

The IUPAC name of [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate (CID 23831474) is [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate.

What is the SMILES notation for [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?

The canonical SMILES for [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate is CCOc1ccc2nc(NC(=O)COC(=O)c3ccc4nc(-c5ccco5)c(-c5ccco5)nc4c3)sc2c1.

What is the InChIKey of [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?

The InChIKey is VZLBBUHFDRITJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O6S/c1-2-35-17-8-10-19-23(14-17)39-28(31-19)32-24(33)15-38-27(34)16-7-9-18-20(13-16)30-26(22-6-4-12-37-22)25(29-18)21-5-3-11-36-21/h3-14H,2,15H2,1H3,(H,31,32,33).

What are the key properties of [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?

[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate has a molecular weight of 540.56 g/mol, XLogP of 5.95, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate is sourced from PubChem (CID 23831474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).