6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinoxaline

C21H21FN2O3 — CID 14985869

IUPAC6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinoxaline
SMILESCOC1(c2cc(F)cc(OCc3ccc4nccnc4c3)c2)CCOCC1
InChIInChI=1S/C21H21FN2O3/c1-25-21(4-8-26-9-5-21)16-11-17(22)13-18(12-16)27-14-15-2-3-19-20(10-15)24-7-6-23-19/h2-3,6-7,10-13H,4-5,8-9,14H2,1H3
InChIKeyYRNZYZFLMIOGHD-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.00
Rot. Bonds5

About 6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinoxaline

6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinoxaline (PubChem CID 14985869) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinoxaline.

Molecular Properties

Compound Name6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinoxaline
PubChem CID14985869
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinoxaline
SMILESCOC1(c2cc(F)cc(OCc3ccc4nccnc4c3)c2)CCOCC1
InChIInChI=1S/C21H21FN2O3/c1-25-21(4-8-26-9-5-21)16-11-17(22)13-18(12-16)27-14-15-2-3-19-20(10-15)24-7-6-23-19/h2-3,6-7,10-13H,4-5,8-9,14H2,1H3
InChIKeyYRNZYZFLMIOGHD-UHFFFAOYSA-N
XLogP4.00
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinoxaline?
The IUPAC name of 6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinoxaline (CID 14985869) is 6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinoxaline.
What is the SMILES notation for 6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinoxaline?
The canonical SMILES for 6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinoxaline is COC1(c2cc(F)cc(OCc3ccc4nccnc4c3)c2)CCOCC1.
What is the InChIKey of 6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinoxaline?
The InChIKey is YRNZYZFLMIOGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-25-21(4-8-26-9-5-21)16-11-17(22)13-18(12-16)27-14-15-2-3-19-20(10-15)24-7-6-23-19/h2-3,6-7,10-13H,4-5,8-9,14H2,1H3.
What are the key properties of 6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinoxaline?
6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinoxaline has a molecular weight of 368.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]quinoxaline is sourced from PubChem (CID 14985869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).