3-(2,4-dimethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid

C23H18N2O4 — CID 86718128

IUPAC3-(2,4-dimethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid
SMILESCOc1ccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)c(OC)c1
InChIInChI=1S/C23H18N2O4/c1-28-16-9-10-17(20(13-16)29-2)22-21(14-6-4-3-5-7-14)24-18-11-8-15(23(26)27)12-19(18)25-22/h3-13H,1-2H3,(H,26,27)
InChIKeyJCMPAWBUTRMSQT-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.68
Rot. Bonds5

About 3-(2,4-dimethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid

3-(2,4-dimethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid (PubChem CID 86718128) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid
PubChem CID86718128
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name3-(2,4-dimethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid
SMILESCOc1ccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)c(OC)c1
InChIInChI=1S/C23H18N2O4/c1-28-16-9-10-17(20(13-16)29-2)22-21(14-6-4-3-5-7-14)24-18-11-8-15(23(26)27)12-19(18)25-22/h3-13H,1-2H3,(H,26,27)
InChIKeyJCMPAWBUTRMSQT-UHFFFAOYSA-N
XLogP4.68
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid (CID 86718128) is 3-(2,4-dimethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid is COc1ccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid?
The InChIKey is JCMPAWBUTRMSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-28-16-9-10-17(20(13-16)29-2)22-21(14-6-4-3-5-7-14)24-18-11-8-15(23(26)27)12-19(18)25-22/h3-13H,1-2H3,(H,26,27).
What are the key properties of 3-(2,4-dimethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid?
3-(2,4-dimethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid has a molecular weight of 386.41 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-2-phenylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 86718128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).