(Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-6-nitroquinoxalin-2-yl]ethenol

C24H15F2N3O4 — CID 135426687

IUPAC(Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-6-nitroquinoxalin-2-yl]ethenol
SMILESO=[N+]([O-])c1ccc2nc(/C=C(\O)c3ccc(F)cc3)c(/C=C(\O)c3ccc(F)cc3)nc2c1
InChIInChI=1S/C24H15F2N3O4/c25-16-5-1-14(2-6-16)23(30)12-21-22(13-24(31)15-3-7-17(26)8-4-15)28-20-11-18(29(32)33)9-10-19(20)27-21/h1-13,30-31H/b23-12-,24-13-
InChIKeyZKGPMPRNJRVJRH-KBZHBASMSA-N
MW447.40 g/mol
LogP5.93
Rot. Bonds5

About (Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-6-nitroquinoxalin-2-yl]ethenol

(Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-6-nitroquinoxalin-2-yl]ethenol (PubChem CID 135426687) has the molecular formula C24H15F2N3O4 and a molecular weight of 447.40 g/mol. Its IUPAC name is (Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-6-nitroquinoxalin-2-yl]ethenol.

Molecular Properties

Compound Name(Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-6-nitroquinoxalin-2-yl]ethenol
PubChem CID135426687
Molecular FormulaC24H15F2N3O4
Molecular Weight447.40 g/mol
Exact Mass447.10
IUPAC Name(Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-6-nitroquinoxalin-2-yl]ethenol
SMILESO=[N+]([O-])c1ccc2nc(/C=C(\O)c3ccc(F)cc3)c(/C=C(\O)c3ccc(F)cc3)nc2c1
InChIInChI=1S/C24H15F2N3O4/c25-16-5-1-14(2-6-16)23(30)12-21-22(13-24(31)15-3-7-17(26)8-4-15)28-20-11-18(29(32)33)9-10-19(20)27-21/h1-13,30-31H/b23-12-,24-13-
InChIKeyZKGPMPRNJRVJRH-KBZHBASMSA-N
XLogP5.93
TPSA109.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.40
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_66_C(2)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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]-6-nitroquinoxalin-2-yl]ethenol?
The IUPAC name of (Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-6-nitroquinoxalin-2-yl]ethenol (CID 135426687) is (Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-6-nitroquinoxalin-2-yl]ethenol.
What is the SMILES notation for (Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-6-nitroquinoxalin-2-yl]ethenol?
The canonical SMILES for (Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-6-nitroquinoxalin-2-yl]ethenol is O=[N+]([O-])c1ccc2nc(/C=C(\O)c3ccc(F)cc3)c(/C=C(\O)c3ccc(F)cc3)nc2c1.
What is the InChIKey of (Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-6-nitroquinoxalin-2-yl]ethenol?
The InChIKey is ZKGPMPRNJRVJRH-KBZHBASMSA-N. The full InChI is InChI=1S/C24H15F2N3O4/c25-16-5-1-14(2-6-16)23(30)12-21-22(13-24(31)15-3-7-17(26)8-4-15)28-20-11-18(29(32)33)9-10-19(20)27-21/h1-13,30-31H/b23-12-,24-13-.
What are the key properties of (Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-6-nitroquinoxalin-2-yl]ethenol?
(Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-6-nitroquinoxalin-2-yl]ethenol has a molecular weight of 447.40 g/mol, XLogP of 5.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-6-nitroquinoxalin-2-yl]ethenol is sourced from PubChem (CID 135426687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).