2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol

C24H18N2O2 — CID 507219

IUPAC2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol
SMILESOC(=Cc1nc2ccccc2nc1C=C(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18N2O2/c27-23(17-9-3-1-4-10-17)15-21-22(16-24(28)18-11-5-2-6-12-18)26-20-14-8-7-13-19(20)25-21/h1-16,27-28H
InChIKeyISVBYKIJCLSXCY-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.74
Rot. Bonds4

About 2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol

2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol (PubChem CID 507219) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol.

Molecular Properties

Compound Name2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol
PubChem CID507219
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol
SMILESOC(=Cc1nc2ccccc2nc1C=C(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18N2O2/c27-23(17-9-3-1-4-10-17)15-21-22(16-24(28)18-11-5-2-6-12-18)26-20-14-8-7-13-19(20)25-21/h1-16,27-28H
InChIKeyISVBYKIJCLSXCY-UHFFFAOYSA-N
XLogP5.74
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_66_C(2)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol?
The IUPAC name of 2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol (CID 507219) is 2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol.
What is the SMILES notation for 2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol?
The canonical SMILES for 2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol is OC(=Cc1nc2ccccc2nc1C=C(O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol?
The InChIKey is ISVBYKIJCLSXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2/c27-23(17-9-3-1-4-10-17)15-21-22(16-24(28)18-11-5-2-6-12-18)26-20-14-8-7-13-19(20)25-21/h1-16,27-28H.
What are the key properties of 2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol?
2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol has a molecular weight of 366.42 g/mol, XLogP of 5.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxy-2-phenylethenyl)quinoxalin-2-yl]-1-phenylethenol is sourced from PubChem (CID 507219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).