2,3-bis(furan-2-yl)-N-(1H-1,2,4-triazol-5-yl)quinoxaline-6-carboxamide

C19H12N6O3 — CID 2301095

IUPAC2,3-bis(furan-2-yl)-N-(1H-1,2,4-triazol-5-yl)quinoxaline-6-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
InChIInChI=1S/C19H12N6O3/c26-18(24-19-20-10-21-25-19)11-5-6-12-13(9-11)23-17(15-4-2-8-28-15)16(22-12)14-3-1-7-27-14/h1-10H,(H2,20,21,24,25,26)
InChIKeyBRKVOUCHUZVUQX-UHFFFAOYSA-N
MW372.34 g/mol
LogP3.52
Rot. Bonds4

About 2,3-bis(furan-2-yl)-N-(1H-1,2,4-triazol-5-yl)quinoxaline-6-carboxamide

2,3-bis(furan-2-yl)-N-(1H-1,2,4-triazol-5-yl)quinoxaline-6-carboxamide (PubChem CID 2301095) has the molecular formula C19H12N6O3 and a molecular weight of 372.34 g/mol. Its IUPAC name is 2,3-bis(furan-2-yl)-N-(1H-1,2,4-triazol-5-yl)quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-bis(furan-2-yl)-N-(1H-1,2,4-triazol-5-yl)quinoxaline-6-carboxamide
PubChem CID2301095
Molecular FormulaC19H12N6O3
Molecular Weight372.34 g/mol
Exact Mass372.10
IUPAC Name2,3-bis(furan-2-yl)-N-(1H-1,2,4-triazol-5-yl)quinoxaline-6-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
InChIInChI=1S/C19H12N6O3/c26-18(24-19-20-10-21-25-19)11-5-6-12-13(9-11)23-17(15-4-2-8-28-15)16(22-12)14-3-1-7-27-14/h1-10H,(H2,20,21,24,25,26)
InChIKeyBRKVOUCHUZVUQX-UHFFFAOYSA-N
XLogP3.52
TPSA122.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(furan-2-yl)-N-(1H-1,2,4-triazol-5-yl)quinoxaline-6-carboxamide?
The IUPAC name of 2,3-bis(furan-2-yl)-N-(1H-1,2,4-triazol-5-yl)quinoxaline-6-carboxamide (CID 2301095) is 2,3-bis(furan-2-yl)-N-(1H-1,2,4-triazol-5-yl)quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-bis(furan-2-yl)-N-(1H-1,2,4-triazol-5-yl)quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-bis(furan-2-yl)-N-(1H-1,2,4-triazol-5-yl)quinoxaline-6-carboxamide is O=C(Nc1ncn[nH]1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1.
What is the InChIKey of 2,3-bis(furan-2-yl)-N-(1H-1,2,4-triazol-5-yl)quinoxaline-6-carboxamide?
The InChIKey is BRKVOUCHUZVUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N6O3/c26-18(24-19-20-10-21-25-19)11-5-6-12-13(9-11)23-17(15-4-2-8-28-15)16(22-12)14-3-1-7-27-14/h1-10H,(H2,20,21,24,25,26).
What are the key properties of 2,3-bis(furan-2-yl)-N-(1H-1,2,4-triazol-5-yl)quinoxaline-6-carboxamide?
2,3-bis(furan-2-yl)-N-(1H-1,2,4-triazol-5-yl)quinoxaline-6-carboxamide has a molecular weight of 372.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(furan-2-yl)-N-(1H-1,2,4-triazol-5-yl)quinoxaline-6-carboxamide is sourced from PubChem (CID 2301095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).