3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid

C22H16N2O2 — CID 90115939

IUPAC3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid
SMILESCc1ccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)cc1
InChIInChI=1S/C22H16N2O2/c1-14-7-9-16(10-8-14)21-20(15-5-3-2-4-6-15)23-18-12-11-17(22(25)26)13-19(18)24-21/h2-13H,1H3,(H,25,26)
InChIKeyIVITVTMELWMLLG-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.97
Rot. Bonds3

About 3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid

3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid (PubChem CID 90115939) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid
PubChem CID90115939
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid
SMILESCc1ccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)cc1
InChIInChI=1S/C22H16N2O2/c1-14-7-9-16(10-8-14)21-20(15-5-3-2-4-6-15)23-18-12-11-17(22(25)26)13-19(18)24-21/h2-13H,1H3,(H,25,26)
InChIKeyIVITVTMELWMLLG-UHFFFAOYSA-N
XLogP4.97
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid?
The IUPAC name of 3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid (CID 90115939) is 3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid?
The canonical SMILES for 3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid is Cc1ccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid?
The InChIKey is IVITVTMELWMLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c1-14-7-9-16(10-8-14)21-20(15-5-3-2-4-6-15)23-18-12-11-17(22(25)26)13-19(18)24-21/h2-13H,1H3,(H,25,26).
What are the key properties of 3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid?
3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 90115939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).