2,3-diphenylquinoxaline-6-carboxylic acid

C21H14N2O2 — CID 629852

IUPAC2,3-diphenylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C21H14N2O2/c24-21(25)16-11-12-17-18(13-16)23-20(15-9-5-2-6-10-15)19(22-17)14-7-3-1-4-8-14/h1-13H,(H,24,25)
InChIKeyLFWGZXMTCUOPFI-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.66
Rot. Bonds3

About 2,3-diphenylquinoxaline-6-carboxylic acid

2,3-diphenylquinoxaline-6-carboxylic acid (PubChem CID 629852) has the molecular formula C21H14N2O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2,3-diphenylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2,3-diphenylquinoxaline-6-carboxylic acid
PubChem CID629852
Molecular FormulaC21H14N2O2
Molecular Weight326.36 g/mol
Exact Mass326.11
IUPAC Name2,3-diphenylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C21H14N2O2/c24-21(25)16-11-12-17-18(13-16)23-20(15-9-5-2-6-10-15)19(22-17)14-7-3-1-4-8-14/h1-13H,(H,24,25)
InChIKeyLFWGZXMTCUOPFI-UHFFFAOYSA-N
XLogP4.66
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenylquinoxaline-6-carboxylic acid?
The IUPAC name of 2,3-diphenylquinoxaline-6-carboxylic acid (CID 629852) is 2,3-diphenylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 2,3-diphenylquinoxaline-6-carboxylic acid?
The canonical SMILES for 2,3-diphenylquinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1.
What is the InChIKey of 2,3-diphenylquinoxaline-6-carboxylic acid?
The InChIKey is LFWGZXMTCUOPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O2/c24-21(25)16-11-12-17-18(13-16)23-20(15-9-5-2-6-10-15)19(22-17)14-7-3-1-4-8-14/h1-13H,(H,24,25).
What are the key properties of 2,3-diphenylquinoxaline-6-carboxylic acid?
2,3-diphenylquinoxaline-6-carboxylic acid has a molecular weight of 326.36 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 629852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).