2-(1-benzofuran-2-yl)-3-phenylquinoxaline

C22H14N2O — CID 20787617

IUPAC2-(1-benzofuran-2-yl)-3-phenylquinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2cc3ccccc3o2)cc1
InChIInChI=1S/C22H14N2O/c1-2-8-15(9-3-1)21-22(24-18-12-6-5-11-17(18)23-21)20-14-16-10-4-7-13-19(16)25-20/h1-14H
InChIKeyQWRBEKBMOSYZFT-UHFFFAOYSA-N
MW322.37 g/mol
LogP5.71
Rot. Bonds2

About 2-(1-benzofuran-2-yl)-3-phenylquinoxaline

2-(1-benzofuran-2-yl)-3-phenylquinoxaline (PubChem CID 20787617) has the molecular formula C22H14N2O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-phenylquinoxaline.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-3-phenylquinoxaline
PubChem CID20787617
Molecular FormulaC22H14N2O
Molecular Weight322.37 g/mol
Exact Mass322.11
IUPAC Name2-(1-benzofuran-2-yl)-3-phenylquinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2cc3ccccc3o2)cc1
InChIInChI=1S/C22H14N2O/c1-2-8-15(9-3-1)21-22(24-18-12-6-5-11-17(18)23-21)20-14-16-10-4-7-13-19(16)25-20/h1-14H
InChIKeyQWRBEKBMOSYZFT-UHFFFAOYSA-N
XLogP5.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.37
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-phenylquinoxaline?
The IUPAC name of 2-(1-benzofuran-2-yl)-3-phenylquinoxaline (CID 20787617) is 2-(1-benzofuran-2-yl)-3-phenylquinoxaline.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-phenylquinoxaline?
The canonical SMILES for 2-(1-benzofuran-2-yl)-3-phenylquinoxaline is c1ccc(-c2nc3ccccc3nc2-c2cc3ccccc3o2)cc1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-3-phenylquinoxaline?
The InChIKey is QWRBEKBMOSYZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O/c1-2-8-15(9-3-1)21-22(24-18-12-6-5-11-17(18)23-21)20-14-16-10-4-7-13-19(16)25-20/h1-14H.
What are the key properties of 2-(1-benzofuran-2-yl)-3-phenylquinoxaline?
2-(1-benzofuran-2-yl)-3-phenylquinoxaline has a molecular weight of 322.37 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-3-phenylquinoxaline is sourced from PubChem (CID 20787617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).