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

C23H18N2O3 — CID 90115925

IUPAC3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid
SMILESCCOc1ccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)cc1
InChIInChI=1S/C23H18N2O3/c1-2-28-18-11-8-16(9-12-18)22-21(15-6-4-3-5-7-15)24-19-13-10-17(23(26)27)14-20(19)25-22/h3-14H,2H2,1H3,(H,26,27)
InChIKeyRKVWTMDJAWUGKH-UHFFFAOYSA-N
MW370.41 g/mol
LogP5.06
Rot. Bonds5

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

3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid (PubChem CID 90115925) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid
PubChem CID90115925
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid
SMILESCCOc1ccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)cc1
InChIInChI=1S/C23H18N2O3/c1-2-28-18-11-8-16(9-12-18)22-21(15-6-4-3-5-7-15)24-19-13-10-17(23(26)27)14-20(19)25-22/h3-14H,2H2,1H3,(H,26,27)
InChIKeyRKVWTMDJAWUGKH-UHFFFAOYSA-N
XLogP5.06
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.41
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid?
The IUPAC name of 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid (CID 90115925) is 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid?
The canonical SMILES for 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid is CCOc1ccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid?
The InChIKey is RKVWTMDJAWUGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-2-28-18-11-8-16(9-12-18)22-21(15-6-4-3-5-7-15)24-19-13-10-17(23(26)27)14-20(19)25-22/h3-14H,2H2,1H3,(H,26,27).
What are the key properties of 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid?
3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 90115925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).