5-(2-fluoro-4-nitrophenoxy)-2,3-dimethylquinoxaline

C16H12FN3O3 — CID 141314832

IUPAC5-(2-fluoro-4-nitrophenoxy)-2,3-dimethylquinoxaline
SMILESCc1nc2cccc(Oc3ccc([N+](=O)[O-])cc3F)c2nc1C
InChIInChI=1S/C16H12FN3O3/c1-9-10(2)19-16-13(18-9)4-3-5-15(16)23-14-7-6-11(20(21)22)8-12(14)17/h3-8H,1-2H3
InChIKeyQYFPGDRCDYUPOQ-UHFFFAOYSA-N
MW313.29 g/mol
LogP4.09
Rot. Bonds3

About 5-(2-fluoro-4-nitrophenoxy)-2,3-dimethylquinoxaline

5-(2-fluoro-4-nitrophenoxy)-2,3-dimethylquinoxaline (PubChem CID 141314832) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is 5-(2-fluoro-4-nitrophenoxy)-2,3-dimethylquinoxaline.

Molecular Properties

Compound Name5-(2-fluoro-4-nitrophenoxy)-2,3-dimethylquinoxaline
PubChem CID141314832
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC Name5-(2-fluoro-4-nitrophenoxy)-2,3-dimethylquinoxaline
SMILESCc1nc2cccc(Oc3ccc([N+](=O)[O-])cc3F)c2nc1C
InChIInChI=1S/C16H12FN3O3/c1-9-10(2)19-16-13(18-9)4-3-5-15(16)23-14-7-6-11(20(21)22)8-12(14)17/h3-8H,1-2H3
InChIKeyQYFPGDRCDYUPOQ-UHFFFAOYSA-N
XLogP4.09
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 54.09
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'}

Analyze 5-(2-fluoro-4-nitrophenoxy)-2,3-dimethylquinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
CID 101232592
2-(2-fluoro-4-nitrophenoxy)phenol
CID 60869522
(1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370027
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
4-(2-fluoro-4-nitrophenoxy)-3-methylbenzonitrile
CID 51892162
2-fluoro-6-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 79515985
6-(2-fluoro-4-nitrophenoxy)pyridin-2-amine
CID 80653072
N-(1,3-benzothiazol-2-yl)-2-(2-fluoro-4-nitrophenoxy)benzenesulfonamide
CID 89047357
1-chloro-2-(chloromethyl)-3-(2-fluoro-4-nitrophenoxy)benzene
CID 63566971
4-(2-fluoro-4-nitrophenoxy)-6,7-dimethylquinoline
CID 134392084
4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine
CID 63734189
4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80870869

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-nitrophenoxy)-2,3-dimethylquinoxaline?
The IUPAC name of 5-(2-fluoro-4-nitrophenoxy)-2,3-dimethylquinoxaline (CID 141314832) is 5-(2-fluoro-4-nitrophenoxy)-2,3-dimethylquinoxaline.
What is the SMILES notation for 5-(2-fluoro-4-nitrophenoxy)-2,3-dimethylquinoxaline?
The canonical SMILES for 5-(2-fluoro-4-nitrophenoxy)-2,3-dimethylquinoxaline is Cc1nc2cccc(Oc3ccc([N+](=O)[O-])cc3F)c2nc1C.
What is the InChIKey of 5-(2-fluoro-4-nitrophenoxy)-2,3-dimethylquinoxaline?
The InChIKey is QYFPGDRCDYUPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c1-9-10(2)19-16-13(18-9)4-3-5-15(16)23-14-7-6-11(20(21)22)8-12(14)17/h3-8H,1-2H3.
What are the key properties of 5-(2-fluoro-4-nitrophenoxy)-2,3-dimethylquinoxaline?
5-(2-fluoro-4-nitrophenoxy)-2,3-dimethylquinoxaline has a molecular weight of 313.29 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-nitrophenoxy)-2,3-dimethylquinoxaline is sourced from PubChem (CID 141314832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).