2-(3,4-dimethoxyphenyl)-3-phenylquinoxaline

C22H18N2O2 — CID 852561

IUPAC2-(3,4-dimethoxyphenyl)-3-phenylquinoxaline
SMILESCOc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1OC
InChIInChI=1S/C22H18N2O2/c1-25-19-13-12-16(14-20(19)26-2)22-21(15-8-4-3-5-9-15)23-17-10-6-7-11-18(17)24-22/h3-14H,1-2H3
InChIKeyWQFWLPFTUVYYOL-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.98
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-3-phenylquinoxaline

2-(3,4-dimethoxyphenyl)-3-phenylquinoxaline (PubChem CID 852561) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-phenylquinoxaline.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-phenylquinoxaline
PubChem CID852561
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-(3,4-dimethoxyphenyl)-3-phenylquinoxaline
SMILESCOc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1OC
InChIInChI=1S/C22H18N2O2/c1-25-19-13-12-16(14-20(19)26-2)22-21(15-8-4-3-5-9-15)23-17-10-6-7-11-18(17)24-22/h3-14H,1-2H3
InChIKeyWQFWLPFTUVYYOL-UHFFFAOYSA-N
XLogP4.98
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-phenylquinoxaline?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-phenylquinoxaline (CID 852561) is 2-(3,4-dimethoxyphenyl)-3-phenylquinoxaline.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-phenylquinoxaline?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-phenylquinoxaline is COc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-phenylquinoxaline?
The InChIKey is WQFWLPFTUVYYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-25-19-13-12-16(14-20(19)26-2)22-21(15-8-4-3-5-9-15)23-17-10-6-7-11-18(17)24-22/h3-14H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-phenylquinoxaline?
2-(3,4-dimethoxyphenyl)-3-phenylquinoxaline has a molecular weight of 342.40 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-phenylquinoxaline is sourced from PubChem (CID 852561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).