2-(difluoromethoxy)-5-(6-methoxynaphthalen-2-yl)-7-(trifluoromethyl)quinoxaline

C21H13F5N2O2 — CID 135262280

IUPAC2-(difluoromethoxy)-5-(6-methoxynaphthalen-2-yl)-7-(trifluoromethyl)quinoxaline
SMILESCOc1ccc2cc(-c3cc(C(F)(F)F)cc4nc(OC(F)F)cnc34)ccc2c1
InChIInChI=1S/C21H13F5N2O2/c1-29-15-5-4-11-6-13(3-2-12(11)7-15)16-8-14(21(24,25)26)9-17-19(16)27-10-18(28-17)30-20(22)23/h2-10,20H,1H3
InChIKeyGSJDMTIJFGTOPL-UHFFFAOYSA-N
MW420.34 g/mol
LogP6.08
Rot. Bonds4

About 2-(difluoromethoxy)-5-(6-methoxynaphthalen-2-yl)-7-(trifluoromethyl)quinoxaline

2-(difluoromethoxy)-5-(6-methoxynaphthalen-2-yl)-7-(trifluoromethyl)quinoxaline (PubChem CID 135262280) has the molecular formula C21H13F5N2O2 and a molecular weight of 420.34 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-(6-methoxynaphthalen-2-yl)-7-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-(6-methoxynaphthalen-2-yl)-7-(trifluoromethyl)quinoxaline
PubChem CID135262280
Molecular FormulaC21H13F5N2O2
Molecular Weight420.34 g/mol
Exact Mass420.09
IUPAC Name2-(difluoromethoxy)-5-(6-methoxynaphthalen-2-yl)-7-(trifluoromethyl)quinoxaline
SMILESCOc1ccc2cc(-c3cc(C(F)(F)F)cc4nc(OC(F)F)cnc34)ccc2c1
InChIInChI=1S/C21H13F5N2O2/c1-29-15-5-4-11-6-13(3-2-12(11)7-15)16-8-14(21(24,25)26)9-17-19(16)27-10-18(28-17)30-20(22)23/h2-10,20H,1H3
InChIKeyGSJDMTIJFGTOPL-UHFFFAOYSA-N
XLogP6.08
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.34
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-(6-methoxynaphthalen-2-yl)-7-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-(difluoromethoxy)-5-(6-methoxynaphthalen-2-yl)-7-(trifluoromethyl)quinoxaline (CID 135262280) is 2-(difluoromethoxy)-5-(6-methoxynaphthalen-2-yl)-7-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-(difluoromethoxy)-5-(6-methoxynaphthalen-2-yl)-7-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-(difluoromethoxy)-5-(6-methoxynaphthalen-2-yl)-7-(trifluoromethyl)quinoxaline is COc1ccc2cc(-c3cc(C(F)(F)F)cc4nc(OC(F)F)cnc34)ccc2c1.
What is the InChIKey of 2-(difluoromethoxy)-5-(6-methoxynaphthalen-2-yl)-7-(trifluoromethyl)quinoxaline?
The InChIKey is GSJDMTIJFGTOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F5N2O2/c1-29-15-5-4-11-6-13(3-2-12(11)7-15)16-8-14(21(24,25)26)9-17-19(16)27-10-18(28-17)30-20(22)23/h2-10,20H,1H3.
What are the key properties of 2-(difluoromethoxy)-5-(6-methoxynaphthalen-2-yl)-7-(trifluoromethyl)quinoxaline?
2-(difluoromethoxy)-5-(6-methoxynaphthalen-2-yl)-7-(trifluoromethyl)quinoxaline has a molecular weight of 420.34 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-(6-methoxynaphthalen-2-yl)-7-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 135262280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).