2-[4-(4-fluorophenoxy)-3-nitrophenyl]quinoxaline

C20H12FN3O3 — CID 1421238

IUPAC2-[4-(4-fluorophenoxy)-3-nitrophenyl]quinoxaline
SMILESO=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C20H12FN3O3/c21-14-6-8-15(9-7-14)27-20-10-5-13(11-19(20)24(25)26)18-12-22-16-3-1-2-4-17(16)23-18/h1-12H
InChIKeyUZTXNCHRCUDQRK-UHFFFAOYSA-N
MW361.33 g/mol
LogP5.14
Rot. Bonds4

About 2-[4-(4-fluorophenoxy)-3-nitrophenyl]quinoxaline

2-[4-(4-fluorophenoxy)-3-nitrophenyl]quinoxaline (PubChem CID 1421238) has the molecular formula C20H12FN3O3 and a molecular weight of 361.33 g/mol. Its IUPAC name is 2-[4-(4-fluorophenoxy)-3-nitrophenyl]quinoxaline.

Molecular Properties

Compound Name2-[4-(4-fluorophenoxy)-3-nitrophenyl]quinoxaline
PubChem CID1421238
Molecular FormulaC20H12FN3O3
Molecular Weight361.33 g/mol
Exact Mass361.09
IUPAC Name2-[4-(4-fluorophenoxy)-3-nitrophenyl]quinoxaline
SMILESO=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Oc1ccc(F)cc1
InChIInChI=1S/C20H12FN3O3/c21-14-6-8-15(9-7-14)27-20-10-5-13(11-19(20)24(25)26)18-12-22-16-3-1-2-4-17(16)23-18/h1-12H
InChIKeyUZTXNCHRCUDQRK-UHFFFAOYSA-N
XLogP5.14
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.33
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 2-[4-(4-fluorophenoxy)-3-nitrophenyl]quinoxaline?
The IUPAC name of 2-[4-(4-fluorophenoxy)-3-nitrophenyl]quinoxaline (CID 1421238) is 2-[4-(4-fluorophenoxy)-3-nitrophenyl]quinoxaline.
What is the SMILES notation for 2-[4-(4-fluorophenoxy)-3-nitrophenyl]quinoxaline?
The canonical SMILES for 2-[4-(4-fluorophenoxy)-3-nitrophenyl]quinoxaline is O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Oc1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-fluorophenoxy)-3-nitrophenyl]quinoxaline?
The InChIKey is UZTXNCHRCUDQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN3O3/c21-14-6-8-15(9-7-14)27-20-10-5-13(11-19(20)24(25)26)18-12-22-16-3-1-2-4-17(16)23-18/h1-12H.
What are the key properties of 2-[4-(4-fluorophenoxy)-3-nitrophenyl]quinoxaline?
2-[4-(4-fluorophenoxy)-3-nitrophenyl]quinoxaline has a molecular weight of 361.33 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenoxy)-3-nitrophenyl]quinoxaline is sourced from PubChem (CID 1421238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).