2-methoxy-7-methyl-5-[3-(trifluoromethyl)phenyl]quinoxaline

C17H13F3N2O — CID 15239013

IUPAC2-methoxy-7-methyl-5-[3-(trifluoromethyl)phenyl]quinoxaline
SMILESCOc1cnc2c(-c3cccc(C(F)(F)F)c3)cc(C)cc2n1
InChIInChI=1S/C17H13F3N2O/c1-10-6-13(11-4-3-5-12(8-11)17(18,19)20)16-14(7-10)22-15(23-2)9-21-16/h3-9H,1-2H3
InChIKeyQMWYINJLVXRISN-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.63
Rot. Bonds2

About 2-methoxy-7-methyl-5-[3-(trifluoromethyl)phenyl]quinoxaline

2-methoxy-7-methyl-5-[3-(trifluoromethyl)phenyl]quinoxaline (PubChem CID 15239013) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 2-methoxy-7-methyl-5-[3-(trifluoromethyl)phenyl]quinoxaline.

Molecular Properties

Compound Name2-methoxy-7-methyl-5-[3-(trifluoromethyl)phenyl]quinoxaline
PubChem CID15239013
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name2-methoxy-7-methyl-5-[3-(trifluoromethyl)phenyl]quinoxaline
SMILESCOc1cnc2c(-c3cccc(C(F)(F)F)c3)cc(C)cc2n1
InChIInChI=1S/C17H13F3N2O/c1-10-6-13(11-4-3-5-12(8-11)17(18,19)20)16-14(7-10)22-15(23-2)9-21-16/h3-9H,1-2H3
InChIKeyQMWYINJLVXRISN-UHFFFAOYSA-N
XLogP4.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-methyl-5-[3-(trifluoromethyl)phenyl]quinoxaline?
The IUPAC name of 2-methoxy-7-methyl-5-[3-(trifluoromethyl)phenyl]quinoxaline (CID 15239013) is 2-methoxy-7-methyl-5-[3-(trifluoromethyl)phenyl]quinoxaline.
What is the SMILES notation for 2-methoxy-7-methyl-5-[3-(trifluoromethyl)phenyl]quinoxaline?
The canonical SMILES for 2-methoxy-7-methyl-5-[3-(trifluoromethyl)phenyl]quinoxaline is COc1cnc2c(-c3cccc(C(F)(F)F)c3)cc(C)cc2n1.
What is the InChIKey of 2-methoxy-7-methyl-5-[3-(trifluoromethyl)phenyl]quinoxaline?
The InChIKey is QMWYINJLVXRISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c1-10-6-13(11-4-3-5-12(8-11)17(18,19)20)16-14(7-10)22-15(23-2)9-21-16/h3-9H,1-2H3.
What are the key properties of 2-methoxy-7-methyl-5-[3-(trifluoromethyl)phenyl]quinoxaline?
2-methoxy-7-methyl-5-[3-(trifluoromethyl)phenyl]quinoxaline has a molecular weight of 318.30 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-methyl-5-[3-(trifluoromethyl)phenyl]quinoxaline is sourced from PubChem (CID 15239013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).