2,3-bis(3-methoxyphenyl)quinoxaline-6-carboxylic acid

C23H18N2O4 — CID 13158647

IUPAC2,3-bis(3-methoxyphenyl)quinoxaline-6-carboxylic acid
SMILESCOc1cccc(-c2nc3ccc(C(=O)O)cc3nc2-c2cccc(OC)c2)c1
InChIInChI=1S/C23H18N2O4/c1-28-17-7-3-5-14(11-17)21-22(15-6-4-8-18(12-15)29-2)25-20-13-16(23(26)27)9-10-19(20)24-21/h3-13H,1-2H3,(H,26,27)
InChIKeyGCLWCZPPWUFWBF-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.68
Rot. Bonds5

About 2,3-bis(3-methoxyphenyl)quinoxaline-6-carboxylic acid

2,3-bis(3-methoxyphenyl)quinoxaline-6-carboxylic acid (PubChem CID 13158647) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2,3-bis(3-methoxyphenyl)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2,3-bis(3-methoxyphenyl)quinoxaline-6-carboxylic acid
PubChem CID13158647
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name2,3-bis(3-methoxyphenyl)quinoxaline-6-carboxylic acid
SMILESCOc1cccc(-c2nc3ccc(C(=O)O)cc3nc2-c2cccc(OC)c2)c1
InChIInChI=1S/C23H18N2O4/c1-28-17-7-3-5-14(11-17)21-22(15-6-4-8-18(12-15)29-2)25-20-13-16(23(26)27)9-10-19(20)24-21/h3-13H,1-2H3,(H,26,27)
InChIKeyGCLWCZPPWUFWBF-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 2,3-bis(3-methoxyphenyl)quinoxaline-6-carboxylic acid?
The IUPAC name of 2,3-bis(3-methoxyphenyl)quinoxaline-6-carboxylic acid (CID 13158647) is 2,3-bis(3-methoxyphenyl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2,3-bis(3-methoxyphenyl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 2,3-bis(3-methoxyphenyl)quinoxaline-6-carboxylic acid is COc1cccc(-c2nc3ccc(C(=O)O)cc3nc2-c2cccc(OC)c2)c1.
What is the InChIKey of 2,3-bis(3-methoxyphenyl)quinoxaline-6-carboxylic acid?
The InChIKey is GCLWCZPPWUFWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-28-17-7-3-5-14(11-17)21-22(15-6-4-8-18(12-15)29-2)25-20-13-16(23(26)27)9-10-19(20)24-21/h3-13H,1-2H3,(H,26,27).
What are the key properties of 2,3-bis(3-methoxyphenyl)quinoxaline-6-carboxylic acid?
2,3-bis(3-methoxyphenyl)quinoxaline-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 2,3-bis(3-methoxyphenyl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 13158647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).