ethyl 2-[[2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetyl]amino]acetate

C22H19N5O5 — CID 51369703

IUPACethyl 2-[[2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21
InChIInChI=1S/C22H19N5O5/c1-2-31-20(30)12-24-18(28)13-27-17-9-4-3-7-14(17)15(11-19(27)29)22-25-21(26-32-22)16-8-5-6-10-23-16/h3-11H,2,12-13H2,1H3,(H,24,28)
InChIKeyXTQHJVFWRMYRTL-UHFFFAOYSA-N
MW433.42 g/mol
LogP1.79
Rot. Bonds7

About ethyl 2-[[2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetyl]amino]acetate

ethyl 2-[[2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetyl]amino]acetate (PubChem CID 51369703) has the molecular formula C22H19N5O5 and a molecular weight of 433.42 g/mol. Its IUPAC name is ethyl 2-[[2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetyl]amino]acetate
PubChem CID51369703
Molecular FormulaC22H19N5O5
Molecular Weight433.42 g/mol
Exact Mass433.14
IUPAC Nameethyl 2-[[2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21
InChIInChI=1S/C22H19N5O5/c1-2-31-20(30)12-24-18(28)13-27-17-9-4-3-7-14(17)15(11-19(27)29)22-25-21(26-32-22)16-8-5-6-10-23-16/h3-11H,2,12-13H2,1H3,(H,24,28)
InChIKeyXTQHJVFWRMYRTL-UHFFFAOYSA-N
XLogP1.79
TPSA129.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[[2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetyl]amino]acetate (CID 51369703) is ethyl 2-[[2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetyl]amino]acetate is CCOC(=O)CNC(=O)Cn1c(=O)cc(-c2nc(-c3ccccn3)no2)c2ccccc21.
What is the InChIKey of ethyl 2-[[2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetyl]amino]acetate?
The InChIKey is XTQHJVFWRMYRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O5/c1-2-31-20(30)12-24-18(28)13-27-17-9-4-3-7-14(17)15(11-19(27)29)22-25-21(26-32-22)16-8-5-6-10-23-16/h3-11H,2,12-13H2,1H3,(H,24,28).
What are the key properties of ethyl 2-[[2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetyl]amino]acetate?
ethyl 2-[[2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetyl]amino]acetate has a molecular weight of 433.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetyl]amino]acetate is sourced from PubChem (CID 51369703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).