2-(4-methoxyphenyl)-3-phenylquinoxaline

C21H16N2O — CID 687304

IUPAC2-(4-methoxyphenyl)-3-phenylquinoxaline
SMILESCOc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1
InChIInChI=1S/C21H16N2O/c1-24-17-13-11-16(12-14-17)21-20(15-7-3-2-4-8-15)22-18-9-5-6-10-19(18)23-21/h2-14H,1H3
InChIKeyLTJCRWFXZREOEO-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.97
Rot. Bonds3

About 2-(4-methoxyphenyl)-3-phenylquinoxaline

2-(4-methoxyphenyl)-3-phenylquinoxaline (PubChem CID 687304) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-phenylquinoxaline.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-phenylquinoxaline
PubChem CID687304
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name2-(4-methoxyphenyl)-3-phenylquinoxaline
SMILESCOc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1
InChIInChI=1S/C21H16N2O/c1-24-17-13-11-16(12-14-17)21-20(15-7-3-2-4-8-15)22-18-9-5-6-10-19(18)23-21/h2-14H,1H3
InChIKeyLTJCRWFXZREOEO-UHFFFAOYSA-N
XLogP4.97
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-phenylquinoxaline?
The IUPAC name of 2-(4-methoxyphenyl)-3-phenylquinoxaline (CID 687304) is 2-(4-methoxyphenyl)-3-phenylquinoxaline.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-phenylquinoxaline?
The canonical SMILES for 2-(4-methoxyphenyl)-3-phenylquinoxaline is COc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-phenylquinoxaline?
The InChIKey is LTJCRWFXZREOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-24-17-13-11-16(12-14-17)21-20(15-7-3-2-4-8-15)22-18-9-5-6-10-19(18)23-21/h2-14H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3-phenylquinoxaline?
2-(4-methoxyphenyl)-3-phenylquinoxaline has a molecular weight of 312.37 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-phenylquinoxaline is sourced from PubChem (CID 687304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).