ethyl 2-[[2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]acetate

C20H18FN3O5 — CID 21270694

IUPACethyl 2-[[2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)COc1ccc(Oc2cnc3cc(F)ccc3n2)cc1
InChIInChI=1S/C20H18FN3O5/c1-2-27-20(26)11-23-18(25)12-28-14-4-6-15(7-5-14)29-19-10-22-17-9-13(21)3-8-16(17)24-19/h3-10H,2,11-12H2,1H3,(H,23,25)
InChIKeyBTKPIBAXDRQFLT-UHFFFAOYSA-N
MW399.38 g/mol
LogP2.62
Rot. Bonds8

About ethyl 2-[[2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]acetate

ethyl 2-[[2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]acetate (PubChem CID 21270694) has the molecular formula C20H18FN3O5 and a molecular weight of 399.38 g/mol. Its IUPAC name is ethyl 2-[[2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]acetate
PubChem CID21270694
Molecular FormulaC20H18FN3O5
Molecular Weight399.38 g/mol
Exact Mass399.12
IUPAC Nameethyl 2-[[2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)COc1ccc(Oc2cnc3cc(F)ccc3n2)cc1
InChIInChI=1S/C20H18FN3O5/c1-2-27-20(26)11-23-18(25)12-28-14-4-6-15(7-5-14)29-19-10-22-17-9-13(21)3-8-16(17)24-19/h3-10H,2,11-12H2,1H3,(H,23,25)
InChIKeyBTKPIBAXDRQFLT-UHFFFAOYSA-N
XLogP2.62
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]acetate with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]ethyl propanoate
CID 151905720
ethyl 2-[[2-[(6-fluoro-3-pyridinyl)oxy]acetyl]amino]acetate
CID 166386485
ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate
CID 61102333
ethyl 2-[(2-pyridin-3-yloxyacetyl)amino]acetate
CID 110487847
2-(4-fluorophenoxy)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 110660416
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-hydroxy-N-methylacetamide
CID 166263356
ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate
CID 60812030
ethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate
CID 60810692
ethyl 2-[[2-(2-aminophenoxy)acetyl]amino]acetate
CID 60812238
2-[[2-(4-fluorophenoxy)acetyl]amino]acetate
CID 7100216
N-(3-fluorophenyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]acetamide
CID 49335848
2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 40778027

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]acetate (CID 21270694) is ethyl 2-[[2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]acetate is CCOC(=O)CNC(=O)COc1ccc(Oc2cnc3cc(F)ccc3n2)cc1.
What is the InChIKey of ethyl 2-[[2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]acetate?
The InChIKey is BTKPIBAXDRQFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O5/c1-2-27-20(26)11-23-18(25)12-28-14-4-6-15(7-5-14)29-19-10-22-17-9-13(21)3-8-16(17)24-19/h3-10H,2,11-12H2,1H3,(H,23,25).
What are the key properties of ethyl 2-[[2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]acetate?
ethyl 2-[[2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]acetate has a molecular weight of 399.38 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[4-(6-fluoroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]acetate is sourced from PubChem (CID 21270694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).