[2-(2,4-dimethylanilino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate

C27H21N3O5 — CID 23915588

About [2-(2,4-dimethylanilino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate

[2-(2,4-dimethylanilino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate (PubChem CID 23915588) has the molecular formula C27H21N3O5 and a molecular weight of 467.48 g/mol. Its IUPAC name is [2-(2,4-dimethylanilino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate.

Molecular Properties

• Compound Name: [2-(2,4-dimethylanilino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
• PubChem CID: 23915588
• Molecular Formula: C27H21N3O5
• Molecular Weight: 467.48 g/mol
• Exact Mass: 467.15
• IUPAC Name: [2-(2,4-dimethylanilino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
• SMILES: Cc1ccc(NC(=O)COC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)c(C)c1
• InChI: InChI=1S/C27H21N3O5/c1-16-7-9-19(17(2)13-16)28-24(31)15-35-27(32)18-8-10-20-21(14-18)30-26(23-6-4-12-34-23)25(29-20)22-5-3-11-33-22/h3-14H,15H2,1-2H3,(H,28,31)
• InChIKey: WIJWWNDRLMYFSQ-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 107.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.48
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?

The IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate (CID 23915588) is [2-(2,4-dimethylanilino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate.

What is the SMILES notation for [2-(2,4-dimethylanilino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?

The canonical SMILES for [2-(2,4-dimethylanilino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate is Cc1ccc(NC(=O)COC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)c(C)c1.

What is the InChIKey of [2-(2,4-dimethylanilino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?

The InChIKey is WIJWWNDRLMYFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O5/c1-16-7-9-19(17(2)13-16)28-24(31)15-35-27(32)18-8-10-20-21(14-18)30-26(23-6-4-12-34-23)25(29-20)22-5-3-11-33-22/h3-14H,15H2,1-2H3,(H,28,31).

What are the key properties of [2-(2,4-dimethylanilino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?

[2-(2,4-dimethylanilino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate has a molecular weight of 467.48 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,4-dimethylanilino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate is sourced from PubChem (CID 23915588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).