4-[6-bromo-8-[1-(3,5-difluorophenoxy)ethyl]quinoxalin-2-yl]morpholine

C20H18BrF2N3O2 — CID 129030028

IUPAC4-[6-bromo-8-[1-(3,5-difluorophenoxy)ethyl]quinoxalin-2-yl]morpholine
SMILESCC(Oc1cc(F)cc(F)c1)c1cc(Br)cc2ncc(N3CCOCC3)nc12
InChIInChI=1S/C20H18BrF2N3O2/c1-12(28-16-9-14(22)8-15(23)10-16)17-6-13(21)7-18-20(17)25-19(11-24-18)26-2-4-27-5-3-26/h6-12H,2-5H2,1H3
InChIKeyKQHJSYMXZNRUHF-UHFFFAOYSA-N
MW450.28 g/mol
LogP4.65
Rot. Bonds4

About 4-[6-bromo-8-[1-(3,5-difluorophenoxy)ethyl]quinoxalin-2-yl]morpholine

4-[6-bromo-8-[1-(3,5-difluorophenoxy)ethyl]quinoxalin-2-yl]morpholine (PubChem CID 129030028) has the molecular formula C20H18BrF2N3O2 and a molecular weight of 450.28 g/mol. Its IUPAC name is 4-[6-bromo-8-[1-(3,5-difluorophenoxy)ethyl]quinoxalin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-bromo-8-[1-(3,5-difluorophenoxy)ethyl]quinoxalin-2-yl]morpholine
PubChem CID129030028
Molecular FormulaC20H18BrF2N3O2
Molecular Weight450.28 g/mol
Exact Mass449.06
IUPAC Name4-[6-bromo-8-[1-(3,5-difluorophenoxy)ethyl]quinoxalin-2-yl]morpholine
SMILESCC(Oc1cc(F)cc(F)c1)c1cc(Br)cc2ncc(N3CCOCC3)nc12
InChIInChI=1S/C20H18BrF2N3O2/c1-12(28-16-9-14(22)8-15(23)10-16)17-6-13(21)7-18-20(17)25-19(11-24-18)26-2-4-27-5-3-26/h6-12H,2-5H2,1H3
InChIKeyKQHJSYMXZNRUHF-UHFFFAOYSA-N
XLogP4.65
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.28
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tris([8-[1-(3,4-difluorophenoxy)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone);sulfane
CID 160927499
[8-[1-(3,4-difluorophenoxy)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-[(3S)-3-ethylpyrrolidin-1-yl]methanone;methane;sulfane
CID 158607211
3,5-difluoro-N-[1-[7-[(3-methoxypyrrolidin-1-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]aniline
CID 166839869
N-[1-[7-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-morpholin-4-ylquinoxalin-5-yl]ethyl]-3,5-difluoroaniline;ethane
CID 145289339
8-[1-(4-chloro-3-fluorophenoxy)ethyl]-N-[2-[methyl(prop-1-en-2-yl)amino]ethyl]-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane
CID 145289341
4-[7-(3,5-difluorophenyl)quinoxalin-2-yl]morpholine
CID 67035153
N-[1-[7-[(2,6-dimethylmorpholin-4-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]-3,5-difluoroaniline;thiohypochlorous acid
CID 161012468
[8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 129030423
methyl 8-[1-[(5-fluoro-3-pyridinyl)amino]ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 142439976
8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane
CID 145289333
8-[1-(3,5-difluorophenoxy)ethyl]-2-(3,6-dihydro-2H-pyran-4-yl)-N,N-dimethylquinoxaline-6-carboxamide
CID 158127412
8-(1-hydroxyethyl)-N,N-dimethyl-2-morpholin-4-ylquinoxaline-6-carboxamide
CID 129030292

Frequently Asked Questions

What is the IUPAC name of 4-[6-bromo-8-[1-(3,5-difluorophenoxy)ethyl]quinoxalin-2-yl]morpholine?
The IUPAC name of 4-[6-bromo-8-[1-(3,5-difluorophenoxy)ethyl]quinoxalin-2-yl]morpholine (CID 129030028) is 4-[6-bromo-8-[1-(3,5-difluorophenoxy)ethyl]quinoxalin-2-yl]morpholine.
What is the SMILES notation for 4-[6-bromo-8-[1-(3,5-difluorophenoxy)ethyl]quinoxalin-2-yl]morpholine?
The canonical SMILES for 4-[6-bromo-8-[1-(3,5-difluorophenoxy)ethyl]quinoxalin-2-yl]morpholine is CC(Oc1cc(F)cc(F)c1)c1cc(Br)cc2ncc(N3CCOCC3)nc12.
What is the InChIKey of 4-[6-bromo-8-[1-(3,5-difluorophenoxy)ethyl]quinoxalin-2-yl]morpholine?
The InChIKey is KQHJSYMXZNRUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrF2N3O2/c1-12(28-16-9-14(22)8-15(23)10-16)17-6-13(21)7-18-20(17)25-19(11-24-18)26-2-4-27-5-3-26/h6-12H,2-5H2,1H3.
What are the key properties of 4-[6-bromo-8-[1-(3,5-difluorophenoxy)ethyl]quinoxalin-2-yl]morpholine?
4-[6-bromo-8-[1-(3,5-difluorophenoxy)ethyl]quinoxalin-2-yl]morpholine has a molecular weight of 450.28 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-8-[1-(3,5-difluorophenoxy)ethyl]quinoxalin-2-yl]morpholine is sourced from PubChem (CID 129030028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).