2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-methylquinoxaline

C17H14F2N2O2 — CID 126508775

IUPAC2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-methylquinoxaline
SMILESCOc1ccc(-c2cc(C)cc3nc(OC(F)F)cnc23)cc1
InChIInChI=1S/C17H14F2N2O2/c1-10-7-13(11-3-5-12(22-2)6-4-11)16-14(8-10)21-15(9-20-16)23-17(18)19/h3-9,17H,1-2H3
InChIKeyVQEBRBZPGXOBSX-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.22
Rot. Bonds4

About 2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-methylquinoxaline

2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-methylquinoxaline (PubChem CID 126508775) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-methylquinoxaline.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-methylquinoxaline
PubChem CID126508775
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-methylquinoxaline
SMILESCOc1ccc(-c2cc(C)cc3nc(OC(F)F)cnc23)cc1
InChIInChI=1S/C17H14F2N2O2/c1-10-7-13(11-3-5-12(22-2)6-4-11)16-14(8-10)21-15(9-20-16)23-17(18)19/h3-9,17H,1-2H3
InChIKeyVQEBRBZPGXOBSX-UHFFFAOYSA-N
XLogP4.22
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-(2-quinoxalin-6-yl-ethyl)-amine
CID 10546538
US10155760, Example 116
CID 118419826
US10155760, Example 69
CID 118420366
US10155760, Example 133
CID 129279962
8-(3-Methoxyphenyl)-6-((4-(trifluoromethyl)phenoxy)methyl)quinoline
CID 49866271
2-(4-Fluorophenyl)-4-(4-methoxyphenyl)-1,5-naphthyridine
CID 145949357
2-(4-Methylphenoxy)quinoxaline
CID 4208060
Quinoxaline, 2-(p-methoxyphenyl)-
CID 3014338
(5R)-5-[5-[[3-(difluoromethoxy)quinolin-8-yl]amino]-2-fluorophenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 57520305
3-[(4-Fluorophenyl)methoxy]-7-(2-fluoropropan-2-yl)-1,5-naphthyridine
CID 86301815
US10155760, Example 70
CID 118420007
4-[(E)-2-(4-methoxyphenyl)ethenyl]quinoline
CID 5377590

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-methylquinoxaline?
The IUPAC name of 2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-methylquinoxaline (CID 126508775) is 2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-methylquinoxaline.
What is the SMILES notation for 2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-methylquinoxaline?
The canonical SMILES for 2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-methylquinoxaline is COc1ccc(-c2cc(C)cc3nc(OC(F)F)cnc23)cc1.
What is the InChIKey of 2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-methylquinoxaline?
The InChIKey is VQEBRBZPGXOBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c1-10-7-13(11-3-5-12(22-2)6-4-11)16-14(8-10)21-15(9-20-16)23-17(18)19/h3-9,17H,1-2H3.
What are the key properties of 2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-methylquinoxaline?
2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-methylquinoxaline has a molecular weight of 316.31 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-(4-methoxyphenyl)-7-methylquinoxaline is sourced from PubChem (CID 126508775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).