2-(4-methylphenyl)-3-phenylquinoxaline

C21H16N2 — CID 2295348

IUPAC2-(4-methylphenyl)-3-phenylquinoxaline
SMILESCc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1
InChIInChI=1S/C21H16N2/c1-15-11-13-17(14-12-15)21-20(16-7-3-2-4-8-16)22-18-9-5-6-10-19(18)23-21/h2-14H,1H3
InChIKeyUVRYQXVGHZOOQP-UHFFFAOYSA-N
MW296.37 g/mol
LogP5.27
Rot. Bonds2

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

2-(4-methylphenyl)-3-phenylquinoxaline (PubChem CID 2295348) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-phenylquinoxaline.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-phenylquinoxaline
PubChem CID2295348
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Name2-(4-methylphenyl)-3-phenylquinoxaline
SMILESCc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1
InChIInChI=1S/C21H16N2/c1-15-11-13-17(14-12-15)21-20(16-7-3-2-4-8-16)22-18-9-5-6-10-19(18)23-21/h2-14H,1H3
InChIKeyUVRYQXVGHZOOQP-UHFFFAOYSA-N
XLogP5.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-phenylquinoxaline?
The IUPAC name of 2-(4-methylphenyl)-3-phenylquinoxaline (CID 2295348) is 2-(4-methylphenyl)-3-phenylquinoxaline.
What is the SMILES notation for 2-(4-methylphenyl)-3-phenylquinoxaline?
The canonical SMILES for 2-(4-methylphenyl)-3-phenylquinoxaline is Cc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-phenylquinoxaline?
The InChIKey is UVRYQXVGHZOOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2/c1-15-11-13-17(14-12-15)21-20(16-7-3-2-4-8-16)22-18-9-5-6-10-19(18)23-21/h2-14H,1H3.
What are the key properties of 2-(4-methylphenyl)-3-phenylquinoxaline?
2-(4-methylphenyl)-3-phenylquinoxaline has a molecular weight of 296.37 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-phenylquinoxaline is sourced from PubChem (CID 2295348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).