5-(3-chloro-4-fluorophenyl)-2-methoxy-7-methylquinoxaline

C16H12ClFN2O — CID 175844865

IUPAC5-(3-chloro-4-fluorophenyl)-2-methoxy-7-methylquinoxaline
SMILESCOc1cnc2c(-c3ccc(F)c(Cl)c3)cc(C)cc2n1
InChIInChI=1S/C16H12ClFN2O/c1-9-5-11(10-3-4-13(18)12(17)7-10)16-14(6-9)20-15(21-2)8-19-16/h3-8H,1-2H3
InChIKeyRNFZKIPSMYCHLS-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.41
Rot. Bonds2

About 5-(3-chloro-4-fluorophenyl)-2-methoxy-7-methylquinoxaline

5-(3-chloro-4-fluorophenyl)-2-methoxy-7-methylquinoxaline (PubChem CID 175844865) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-2-methoxy-7-methylquinoxaline.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-2-methoxy-7-methylquinoxaline
PubChem CID175844865
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name5-(3-chloro-4-fluorophenyl)-2-methoxy-7-methylquinoxaline
SMILESCOc1cnc2c(-c3ccc(F)c(Cl)c3)cc(C)cc2n1
InChIInChI=1S/C16H12ClFN2O/c1-9-5-11(10-3-4-13(18)12(17)7-10)16-14(6-9)20-15(21-2)8-19-16/h3-8H,1-2H3
InChIKeyRNFZKIPSMYCHLS-UHFFFAOYSA-N
XLogP4.41
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(3-chloro-4-fluorophenyl)-2-methoxy-7-methylquinoxaline 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 5-(3-chloro-4-fluorophenyl)-2-methoxy-7-methylquinoxaline?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-2-methoxy-7-methylquinoxaline (CID 175844865) is 5-(3-chloro-4-fluorophenyl)-2-methoxy-7-methylquinoxaline.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-2-methoxy-7-methylquinoxaline?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-2-methoxy-7-methylquinoxaline is COc1cnc2c(-c3ccc(F)c(Cl)c3)cc(C)cc2n1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-2-methoxy-7-methylquinoxaline?
The InChIKey is RNFZKIPSMYCHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-9-5-11(10-3-4-13(18)12(17)7-10)16-14(6-9)20-15(21-2)8-19-16/h3-8H,1-2H3.
What are the key properties of 5-(3-chloro-4-fluorophenyl)-2-methoxy-7-methylquinoxaline?
5-(3-chloro-4-fluorophenyl)-2-methoxy-7-methylquinoxaline has a molecular weight of 302.74 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-2-methoxy-7-methylquinoxaline is sourced from PubChem (CID 175844865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).