2-(furan-2-yl)-3-phenylquinoxaline-6-carboxylic acid

C19H12N2O3 — CID 74223924

IUPAC2-(furan-2-yl)-3-phenylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccco3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C19H12N2O3/c22-19(23)13-8-9-14-15(11-13)21-17(12-5-2-1-3-6-12)18(20-14)16-7-4-10-24-16/h1-11H,(H,22,23)
InChIKeyDMICZXPONCMNQQ-UHFFFAOYSA-N
MW316.32 g/mol
LogP4.26
Rot. Bonds3

About 2-(furan-2-yl)-3-phenylquinoxaline-6-carboxylic acid

2-(furan-2-yl)-3-phenylquinoxaline-6-carboxylic acid (PubChem CID 74223924) has the molecular formula C19H12N2O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-phenylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-3-phenylquinoxaline-6-carboxylic acid
PubChem CID74223924
Molecular FormulaC19H12N2O3
Molecular Weight316.32 g/mol
Exact Mass316.08
IUPAC Name2-(furan-2-yl)-3-phenylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccco3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C19H12N2O3/c22-19(23)13-8-9-14-15(11-13)21-17(12-5-2-1-3-6-12)18(20-14)16-7-4-10-24-16/h1-11H,(H,22,23)
InChIKeyDMICZXPONCMNQQ-UHFFFAOYSA-N
XLogP4.26
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-phenylquinoxaline-6-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-3-phenylquinoxaline-6-carboxylic acid (CID 74223924) is 2-(furan-2-yl)-3-phenylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-3-phenylquinoxaline-6-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-3-phenylquinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccco3)c(-c3ccccc3)nc2c1.
What is the InChIKey of 2-(furan-2-yl)-3-phenylquinoxaline-6-carboxylic acid?
The InChIKey is DMICZXPONCMNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3/c22-19(23)13-8-9-14-15(11-13)21-17(12-5-2-1-3-6-12)18(20-14)16-7-4-10-24-16/h1-11H,(H,22,23).
What are the key properties of 2-(furan-2-yl)-3-phenylquinoxaline-6-carboxylic acid?
2-(furan-2-yl)-3-phenylquinoxaline-6-carboxylic acid has a molecular weight of 316.32 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-phenylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 74223924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).