3-(4-chlorophenyl)-5-methoxy-2-methylquinoxaline

C16H13ClN2O — CID 46203857

IUPAC3-(4-chlorophenyl)-5-methoxy-2-methylquinoxaline
SMILESCOc1cccc2nc(C)c(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C16H13ClN2O/c1-10-15(11-6-8-12(17)9-7-11)19-16-13(18-10)4-3-5-14(16)20-2/h3-9H,1-2H3
InChIKeyHUZDWULTNASAOG-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.27
Rot. Bonds2

About 3-(4-chlorophenyl)-5-methoxy-2-methylquinoxaline

3-(4-chlorophenyl)-5-methoxy-2-methylquinoxaline (PubChem CID 46203857) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methoxy-2-methylquinoxaline.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methoxy-2-methylquinoxaline
PubChem CID46203857
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name3-(4-chlorophenyl)-5-methoxy-2-methylquinoxaline
SMILESCOc1cccc2nc(C)c(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C16H13ClN2O/c1-10-15(11-6-8-12(17)9-7-11)19-16-13(18-10)4-3-5-14(16)20-2/h3-9H,1-2H3
InChIKeyHUZDWULTNASAOG-UHFFFAOYSA-N
XLogP4.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-methoxy-2-methylquinoxaline?
The IUPAC name of 3-(4-chlorophenyl)-5-methoxy-2-methylquinoxaline (CID 46203857) is 3-(4-chlorophenyl)-5-methoxy-2-methylquinoxaline.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methoxy-2-methylquinoxaline?
The canonical SMILES for 3-(4-chlorophenyl)-5-methoxy-2-methylquinoxaline is COc1cccc2nc(C)c(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 3-(4-chlorophenyl)-5-methoxy-2-methylquinoxaline?
The InChIKey is HUZDWULTNASAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-10-15(11-6-8-12(17)9-7-11)19-16-13(18-10)4-3-5-14(16)20-2/h3-9H,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-5-methoxy-2-methylquinoxaline?
3-(4-chlorophenyl)-5-methoxy-2-methylquinoxaline has a molecular weight of 284.75 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-methoxy-2-methylquinoxaline is sourced from PubChem (CID 46203857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).