4-[2-[4-[8-(3-fluorophenyl)quinoxalin-2-yl]-2-methoxyphenoxy]ethyl]morpholine

C27H26FN3O3 — CID 141295660

IUPAC4-[2-[4-[8-(3-fluorophenyl)quinoxalin-2-yl]-2-methoxyphenoxy]ethyl]morpholine
SMILESCOc1cc(-c2cnc3cccc(-c4cccc(F)c4)c3n2)ccc1OCCN1CCOCC1
InChIInChI=1S/C27H26FN3O3/c1-32-26-17-20(8-9-25(26)34-15-12-31-10-13-33-14-11-31)24-18-29-23-7-3-6-22(27(23)30-24)19-4-2-5-21(28)16-19/h2-9,16-18H,10-15H2,1H3
InChIKeyBLLSILWJTYKHGX-UHFFFAOYSA-N
MW459.52 g/mol
LogP4.82
Rot. Bonds7

About 4-[2-[4-[8-(3-fluorophenyl)quinoxalin-2-yl]-2-methoxyphenoxy]ethyl]morpholine

4-[2-[4-[8-(3-fluorophenyl)quinoxalin-2-yl]-2-methoxyphenoxy]ethyl]morpholine (PubChem CID 141295660) has the molecular formula C27H26FN3O3 and a molecular weight of 459.52 g/mol. Its IUPAC name is 4-[2-[4-[8-(3-fluorophenyl)quinoxalin-2-yl]-2-methoxyphenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[8-(3-fluorophenyl)quinoxalin-2-yl]-2-methoxyphenoxy]ethyl]morpholine
PubChem CID141295660
Molecular FormulaC27H26FN3O3
Molecular Weight459.52 g/mol
Exact Mass459.20
IUPAC Name4-[2-[4-[8-(3-fluorophenyl)quinoxalin-2-yl]-2-methoxyphenoxy]ethyl]morpholine
SMILESCOc1cc(-c2cnc3cccc(-c4cccc(F)c4)c3n2)ccc1OCCN1CCOCC1
InChIInChI=1S/C27H26FN3O3/c1-32-26-17-20(8-9-25(26)34-15-12-31-10-13-33-14-11-31)24-18-29-23-7-3-6-22(27(23)30-24)19-4-2-5-21(28)16-19/h2-9,16-18H,10-15H2,1H3
InChIKeyBLLSILWJTYKHGX-UHFFFAOYSA-N
XLogP4.82
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[4-[8-(3-fluorophenyl)quinoxalin-2-yl]-2-methoxyphenoxy]ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[8-(3-fluorophenyl)quinoxalin-2-yl]-2-methoxyphenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[8-(3-fluorophenyl)quinoxalin-2-yl]-2-methoxyphenoxy]ethyl]morpholine (CID 141295660) is 4-[2-[4-[8-(3-fluorophenyl)quinoxalin-2-yl]-2-methoxyphenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[8-(3-fluorophenyl)quinoxalin-2-yl]-2-methoxyphenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[8-(3-fluorophenyl)quinoxalin-2-yl]-2-methoxyphenoxy]ethyl]morpholine is COc1cc(-c2cnc3cccc(-c4cccc(F)c4)c3n2)ccc1OCCN1CCOCC1.
What is the InChIKey of 4-[2-[4-[8-(3-fluorophenyl)quinoxalin-2-yl]-2-methoxyphenoxy]ethyl]morpholine?
The InChIKey is BLLSILWJTYKHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O3/c1-32-26-17-20(8-9-25(26)34-15-12-31-10-13-33-14-11-31)24-18-29-23-7-3-6-22(27(23)30-24)19-4-2-5-21(28)16-19/h2-9,16-18H,10-15H2,1H3.
What are the key properties of 4-[2-[4-[8-(3-fluorophenyl)quinoxalin-2-yl]-2-methoxyphenoxy]ethyl]morpholine?
4-[2-[4-[8-(3-fluorophenyl)quinoxalin-2-yl]-2-methoxyphenoxy]ethyl]morpholine has a molecular weight of 459.52 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[8-(3-fluorophenyl)quinoxalin-2-yl]-2-methoxyphenoxy]ethyl]morpholine is sourced from PubChem (CID 141295660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).