4-[[2-fluoro-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine

C28H28FN3O4 — CID 25123807

IUPAC4-[[2-fluoro-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine
SMILESCOc1cc(-c2cnc3cccc(-c4ccc(CN5CCOCC5)c(F)c4)c3n2)cc(OC)c1OC
InChIInChI=1S/C28H28FN3O4/c1-33-25-14-20(15-26(34-2)28(25)35-3)24-16-30-23-6-4-5-21(27(23)31-24)18-7-8-19(22(29)13-18)17-32-9-11-36-12-10-32/h4-8,13-16H,9-12,17H2,1-3H3
InChIKeyCSIZOJIMVWNMST-UHFFFAOYSA-N
MW489.55 g/mol
LogP4.96
Rot. Bonds7

About 4-[[2-fluoro-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine

4-[[2-fluoro-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine (PubChem CID 25123807) has the molecular formula C28H28FN3O4 and a molecular weight of 489.55 g/mol. Its IUPAC name is 4-[[2-fluoro-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-fluoro-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine
PubChem CID25123807
Molecular FormulaC28H28FN3O4
Molecular Weight489.55 g/mol
Exact Mass489.21
IUPAC Name4-[[2-fluoro-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine
SMILESCOc1cc(-c2cnc3cccc(-c4ccc(CN5CCOCC5)c(F)c4)c3n2)cc(OC)c1OC
InChIInChI=1S/C28H28FN3O4/c1-33-25-14-20(15-26(34-2)28(25)35-3)24-16-30-23-6-4-5-21(27(23)31-24)18-7-8-19(22(29)13-18)17-32-9-11-36-12-10-32/h4-8,13-16H,9-12,17H2,1-3H3
InChIKeyCSIZOJIMVWNMST-UHFFFAOYSA-N
XLogP4.96
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[2-fluoro-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine (CID 25123807) is 4-[[2-fluoro-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[2-fluoro-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[2-fluoro-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine is COc1cc(-c2cnc3cccc(-c4ccc(CN5CCOCC5)c(F)c4)c3n2)cc(OC)c1OC.
What is the InChIKey of 4-[[2-fluoro-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine?
The InChIKey is CSIZOJIMVWNMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O4/c1-33-25-14-20(15-26(34-2)28(25)35-3)24-16-30-23-6-4-5-21(27(23)31-24)18-7-8-19(22(29)13-18)17-32-9-11-36-12-10-32/h4-8,13-16H,9-12,17H2,1-3H3.
What are the key properties of 4-[[2-fluoro-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine?
4-[[2-fluoro-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine has a molecular weight of 489.55 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 25123807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).