3,6-difluoro-2-methoxy-4-quinoxalin-2-yloxybenzonitrile

C16H9F2N3O2 — CID 139233530

IUPAC3,6-difluoro-2-methoxy-4-quinoxalin-2-yloxybenzonitrile
SMILESCOc1c(F)c(Oc2cnc3ccccc3n2)cc(F)c1C#N
InChIInChI=1S/C16H9F2N3O2/c1-22-16-9(7-19)10(17)6-13(15(16)18)23-14-8-20-11-4-2-3-5-12(11)21-14/h2-6,8H,1H3
InChIKeyUGVITORZTMNGSX-UHFFFAOYSA-N
MW313.26 g/mol
LogP3.58
Rot. Bonds3

About 3,6-difluoro-2-methoxy-4-quinoxalin-2-yloxybenzonitrile

3,6-difluoro-2-methoxy-4-quinoxalin-2-yloxybenzonitrile (PubChem CID 139233530) has the molecular formula C16H9F2N3O2 and a molecular weight of 313.26 g/mol. Its IUPAC name is 3,6-difluoro-2-methoxy-4-quinoxalin-2-yloxybenzonitrile.

Molecular Properties

Compound Name3,6-difluoro-2-methoxy-4-quinoxalin-2-yloxybenzonitrile
PubChem CID139233530
Molecular FormulaC16H9F2N3O2
Molecular Weight313.26 g/mol
Exact Mass313.07
IUPAC Name3,6-difluoro-2-methoxy-4-quinoxalin-2-yloxybenzonitrile
SMILESCOc1c(F)c(Oc2cnc3ccccc3n2)cc(F)c1C#N
InChIInChI=1S/C16H9F2N3O2/c1-22-16-9(7-19)10(17)6-13(15(16)18)23-14-8-20-11-4-2-3-5-12(11)21-14/h2-6,8H,1H3
InChIKeyUGVITORZTMNGSX-UHFFFAOYSA-N
XLogP3.58
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-Dipyridin-3-yloxybenzonitrile
CID 57395660
2-(4-Methylphenoxy)quinoxaline
CID 4208060
2-{7-[(3,4-Difluorophenyl)methoxy]-1,5-naphthyridin-3-yl}acetonitrile
CID 86301660
2-[3-Methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]quinoxaline
CID 56712812
US10689362, Example 10
CID 134441935
US10689362, Example 30
CID 134442343
4-[(3,5-Dimethoxyphenoxy)methyl]-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
CID 509478
2-Phenoxy-4-pyridin-3-yloxybenzonitrile
CID 57399143
2-(4-Methoxyphenoxy)-4-pyridin-3-yloxybenzonitrile
CID 57402655
2-(4-Fluorophenyl)-3-(3-methoxyphenoxy)pyrazine
CID 172433521
2-[2-(2,4,6-Trimethoxyphenyl)vinyl]quinoxaline
CID 5925925
2-[3-(Trifluoromethyl)phenoxy]quinoxaline
CID 3695928

Frequently Asked Questions

What is the IUPAC name of 3,6-difluoro-2-methoxy-4-quinoxalin-2-yloxybenzonitrile?
The IUPAC name of 3,6-difluoro-2-methoxy-4-quinoxalin-2-yloxybenzonitrile (CID 139233530) is 3,6-difluoro-2-methoxy-4-quinoxalin-2-yloxybenzonitrile.
What is the SMILES notation for 3,6-difluoro-2-methoxy-4-quinoxalin-2-yloxybenzonitrile?
The canonical SMILES for 3,6-difluoro-2-methoxy-4-quinoxalin-2-yloxybenzonitrile is COc1c(F)c(Oc2cnc3ccccc3n2)cc(F)c1C#N.
What is the InChIKey of 3,6-difluoro-2-methoxy-4-quinoxalin-2-yloxybenzonitrile?
The InChIKey is UGVITORZTMNGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2N3O2/c1-22-16-9(7-19)10(17)6-13(15(16)18)23-14-8-20-11-4-2-3-5-12(11)21-14/h2-6,8H,1H3.
What are the key properties of 3,6-difluoro-2-methoxy-4-quinoxalin-2-yloxybenzonitrile?
3,6-difluoro-2-methoxy-4-quinoxalin-2-yloxybenzonitrile has a molecular weight of 313.26 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-difluoro-2-methoxy-4-quinoxalin-2-yloxybenzonitrile is sourced from PubChem (CID 139233530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).