2-(2-fluoro-3,4,5-trimethoxyphenoxy)quinoxaline

C17H15FN2O4 — CID 139233537

IUPAC2-(2-fluoro-3,4,5-trimethoxyphenoxy)quinoxaline
SMILESCOc1cc(Oc2cnc3ccccc3n2)c(F)c(OC)c1OC
InChIInChI=1S/C17H15FN2O4/c1-21-13-8-12(15(18)17(23-3)16(13)22-2)24-14-9-19-10-6-4-5-7-11(10)20-14/h4-9H,1-3H3
InChIKeyCRMMVDXSGDHAOQ-UHFFFAOYSA-N
MW330.32 g/mol
LogP3.59
Rot. Bonds5

About 2-(2-fluoro-3,4,5-trimethoxyphenoxy)quinoxaline

2-(2-fluoro-3,4,5-trimethoxyphenoxy)quinoxaline (PubChem CID 139233537) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is 2-(2-fluoro-3,4,5-trimethoxyphenoxy)quinoxaline.

Molecular Properties

Compound Name2-(2-fluoro-3,4,5-trimethoxyphenoxy)quinoxaline
PubChem CID139233537
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name2-(2-fluoro-3,4,5-trimethoxyphenoxy)quinoxaline
SMILESCOc1cc(Oc2cnc3ccccc3n2)c(F)c(OC)c1OC
InChIInChI=1S/C17H15FN2O4/c1-21-13-8-12(15(18)17(23-3)16(13)22-2)24-14-9-19-10-6-4-5-7-11(10)20-14/h4-9H,1-3H3
InChIKeyCRMMVDXSGDHAOQ-UHFFFAOYSA-N
XLogP3.59
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Phenoxyquinoxaline
CID 3734282
2-(4-Methoxyphenoxy)-3-(trifluoromethyl)quinoxaline
CID 1470962
2-(4-Methoxyphenoxy)quinoxaline
CID 3586870
2-(4-Fluorophenoxy)quinoxaline
CID 4363978
4-(4-Methoxyphenoxy)pyrrolo[1,2-a]quinoxaline
CID 3500346
2-[4-(6-Fluoroquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 12797670
2-[4-(7-Fluoroquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 24843442
Methyl 2-[4-(7-fluoroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 44295008
4-[(3,4,5-Trimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline
CID 399540
4-[(3,5-Dimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline
CID 509474
7-(Trifluoromethyl)-4-[(3,4,5-trimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline
CID 509477
2-(4-Fluorophenyl)-3-(3-methoxyphenoxy)pyrazine
CID 172433521

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3,4,5-trimethoxyphenoxy)quinoxaline?
The IUPAC name of 2-(2-fluoro-3,4,5-trimethoxyphenoxy)quinoxaline (CID 139233537) is 2-(2-fluoro-3,4,5-trimethoxyphenoxy)quinoxaline.
What is the SMILES notation for 2-(2-fluoro-3,4,5-trimethoxyphenoxy)quinoxaline?
The canonical SMILES for 2-(2-fluoro-3,4,5-trimethoxyphenoxy)quinoxaline is COc1cc(Oc2cnc3ccccc3n2)c(F)c(OC)c1OC.
What is the InChIKey of 2-(2-fluoro-3,4,5-trimethoxyphenoxy)quinoxaline?
The InChIKey is CRMMVDXSGDHAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-21-13-8-12(15(18)17(23-3)16(13)22-2)24-14-9-19-10-6-4-5-7-11(10)20-14/h4-9H,1-3H3.
What are the key properties of 2-(2-fluoro-3,4,5-trimethoxyphenoxy)quinoxaline?
2-(2-fluoro-3,4,5-trimethoxyphenoxy)quinoxaline has a molecular weight of 330.32 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3,4,5-trimethoxyphenoxy)quinoxaline is sourced from PubChem (CID 139233537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).