[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate

C26H18ClN3O5 — CID 23943716

About [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate (PubChem CID 23943716) has the molecular formula C26H18ClN3O5 and a molecular weight of 487.90 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate.

Molecular Properties

• Compound Name: [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
• PubChem CID: 23943716
• Molecular Formula: C26H18ClN3O5
• Molecular Weight: 487.90 g/mol
• Exact Mass: 487.09
• IUPAC Name: [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
• SMILES: O=C(COC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)NCc1ccccc1Cl
• InChI: InChI=1S/C26H18ClN3O5/c27-18-6-2-1-5-17(18)14-28-23(31)15-35-26(32)16-9-10-19-20(13-16)30-25(22-8-4-12-34-22)24(29-19)21-7-3-11-33-21/h1-13H,14-15H2,(H,28,31)
• InChIKey: AVGODDQKQMNULD-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 107.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.90
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?

The IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate (CID 23943716) is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate.

What is the SMILES notation for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?

The canonical SMILES for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate is O=C(COC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)NCc1ccccc1Cl.

What is the InChIKey of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?

The InChIKey is AVGODDQKQMNULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN3O5/c27-18-6-2-1-5-17(18)14-28-23(31)15-35-26(32)16-9-10-19-20(13-16)30-25(22-8-4-12-34-22)24(29-19)21-7-3-11-33-21/h1-13H,14-15H2,(H,28,31).

What are the key properties of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate has a molecular weight of 487.90 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate is sourced from PubChem (CID 23943716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).