(Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol

C24H16F2N2O2 — CID 135426686

IUPAC(Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol
SMILESO/C(=C\c1nc2ccccc2nc1/C=C(\O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H16F2N2O2/c25-17-9-5-15(6-10-17)23(29)13-21-22(28-20-4-2-1-3-19(20)27-21)14-24(30)16-7-11-18(26)12-8-16/h1-14,29-30H/b23-13-,24-14-
InChIKeyWJGLKSWIHJGBGP-GACBQCINSA-N
MW402.40 g/mol
LogP6.02
Rot. Bonds4

About (Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol

(Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol (PubChem CID 135426686) has the molecular formula C24H16F2N2O2 and a molecular weight of 402.40 g/mol. Its IUPAC name is (Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol.

Molecular Properties

Compound Name(Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol
PubChem CID135426686
Molecular FormulaC24H16F2N2O2
Molecular Weight402.40 g/mol
Exact Mass402.12
IUPAC Name(Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol
SMILESO/C(=C\c1nc2ccccc2nc1/C=C(\O)c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H16F2N2O2/c25-17-9-5-15(6-10-17)23(29)13-21-22(28-20-4-2-1-3-19(20)27-21)14-24(30)16-7-11-18(26)12-8-16/h1-14,29-30H/b23-13-,24-14-
InChIKeyWJGLKSWIHJGBGP-GACBQCINSA-N
XLogP6.02
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.40
LogP ≤ 56.02
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 (Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol?
The IUPAC name of (Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol (CID 135426686) is (Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol.
What is the SMILES notation for (Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol?
The canonical SMILES for (Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol is O/C(=C\c1nc2ccccc2nc1/C=C(\O)c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of (Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol?
The InChIKey is WJGLKSWIHJGBGP-GACBQCINSA-N. The full InChI is InChI=1S/C24H16F2N2O2/c25-17-9-5-15(6-10-17)23(29)13-21-22(28-20-4-2-1-3-19(20)27-21)14-24(30)16-7-11-18(26)12-8-16/h1-14,29-30H/b23-13-,24-14-.
What are the key properties of (Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol?
(Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol has a molecular weight of 402.40 g/mol, XLogP of 6.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol is sourced from PubChem (CID 135426686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).