[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate

C29H19N3O5 — CID 23887588

About [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate

[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate (PubChem CID 23887588) has the molecular formula C29H19N3O5 and a molecular weight of 489.49 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate.

Molecular Properties

• Compound Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
• PubChem CID: 23887588
• Molecular Formula: C29H19N3O5
• Molecular Weight: 489.49 g/mol
• Exact Mass: 489.13
• IUPAC Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
• SMILES: O=C(COC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)Nc1cccc2ccccc12
• InChI: InChI=1S/C29H19N3O5/c33-26(30-21-9-3-7-18-6-1-2-8-20(18)21)17-37-29(34)19-12-13-22-23(16-19)32-28(25-11-5-15-36-25)27(31-22)24-10-4-14-35-24/h1-16H,17H2,(H,30,33)
• InChIKey: HXQKELYZUDNTRH-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 107.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.49
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate (CID 23887588) is [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate.

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

The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate is O=C(COC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)Nc1cccc2ccccc12.

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

The InChIKey is HXQKELYZUDNTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3O5/c33-26(30-21-9-3-7-18-6-1-2-8-20(18)21)17-37-29(34)19-12-13-22-23(16-19)32-28(25-11-5-15-36-25)27(31-22)24-10-4-14-35-24/h1-16H,17H2,(H,30,33).

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

[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate has a molecular weight of 489.49 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate is sourced from PubChem (CID 23887588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).