6,7-diethoxy-2-(4-fluorophenyl)quinoxaline

C18H17FN2O2 — CID 19035996

IUPAC6,7-diethoxy-2-(4-fluorophenyl)quinoxaline
SMILESCCOc1cc2ncc(-c3ccc(F)cc3)nc2cc1OCC
InChIInChI=1S/C18H17FN2O2/c1-3-22-17-9-14-15(10-18(17)23-4-2)21-16(11-20-14)12-5-7-13(19)8-6-12/h5-11H,3-4H2,1-2H3
InChIKeyXBMYHZOEKVPDJB-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.23
Rot. Bonds5

About 6,7-diethoxy-2-(4-fluorophenyl)quinoxaline

6,7-diethoxy-2-(4-fluorophenyl)quinoxaline (PubChem CID 19035996) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 6,7-diethoxy-2-(4-fluorophenyl)quinoxaline.

Molecular Properties

Compound Name6,7-diethoxy-2-(4-fluorophenyl)quinoxaline
PubChem CID19035996
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name6,7-diethoxy-2-(4-fluorophenyl)quinoxaline
SMILESCCOc1cc2ncc(-c3ccc(F)cc3)nc2cc1OCC
InChIInChI=1S/C18H17FN2O2/c1-3-22-17-9-14-15(10-18(17)23-4-2)21-16(11-20-14)12-5-7-13(19)8-6-12/h5-11H,3-4H2,1-2H3
InChIKeyXBMYHZOEKVPDJB-UHFFFAOYSA-N
XLogP4.23
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,7-diethoxy-2-(4-fluorophenyl)quinoxaline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-2-(4-fluorophenyl)quinoxaline?
The IUPAC name of 6,7-diethoxy-2-(4-fluorophenyl)quinoxaline (CID 19035996) is 6,7-diethoxy-2-(4-fluorophenyl)quinoxaline.
What is the SMILES notation for 6,7-diethoxy-2-(4-fluorophenyl)quinoxaline?
The canonical SMILES for 6,7-diethoxy-2-(4-fluorophenyl)quinoxaline is CCOc1cc2ncc(-c3ccc(F)cc3)nc2cc1OCC.
What is the InChIKey of 6,7-diethoxy-2-(4-fluorophenyl)quinoxaline?
The InChIKey is XBMYHZOEKVPDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-3-22-17-9-14-15(10-18(17)23-4-2)21-16(11-20-14)12-5-7-13(19)8-6-12/h5-11H,3-4H2,1-2H3.
What are the key properties of 6,7-diethoxy-2-(4-fluorophenyl)quinoxaline?
6,7-diethoxy-2-(4-fluorophenyl)quinoxaline has a molecular weight of 312.34 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-2-(4-fluorophenyl)quinoxaline is sourced from PubChem (CID 19035996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).