[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate

C21H19N3O6 — CID 18226940

IUPAC[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
SMILESCOc1cccc(-c2noc(COC(=O)COc3ccc4c(c3)CCC(=O)N4)n2)c1
InChIInChI=1S/C21H19N3O6/c1-27-15-4-2-3-14(10-15)21-23-19(30-24-21)11-29-20(26)12-28-16-6-7-17-13(9-16)5-8-18(25)22-17/h2-4,6-7,9-10H,5,8,11-12H2,1H3,(H,22,25)
InChIKeyWHORTEKZVWKSGV-UHFFFAOYSA-N
MW409.40 g/mol
LogP2.75
Rot. Bonds7

About [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate

[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate (PubChem CID 18226940) has the molecular formula C21H19N3O6 and a molecular weight of 409.40 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
PubChem CID18226940
Molecular FormulaC21H19N3O6
Molecular Weight409.40 g/mol
Exact Mass409.13
IUPAC Name[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
SMILESCOc1cccc(-c2noc(COC(=O)COc3ccc4c(c3)CCC(=O)N4)n2)c1
InChIInChI=1S/C21H19N3O6/c1-27-15-4-2-3-14(10-15)21-23-19(30-24-21)11-29-20(26)12-28-16-6-7-17-13(9-16)5-8-18(25)22-17/h2-4,6-7,9-10H,5,8,11-12H2,1H3,(H,22,25)
InChIKeyWHORTEKZVWKSGV-UHFFFAOYSA-N
XLogP2.75
TPSA112.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]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

[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 18271341
[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 55528002
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 46646300
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7580840
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-methoxyphenyl)sulfanylacetate
CID 8550796
(7-methoxynaphthalen-2-yl) 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 51112368
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(2-methylphenoxy)propanoate
CID 55316530
1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 112787991
6-(3-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 163249682
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate
CID 29364003
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 55475545
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-dimethylfuran-3-carboxylate
CID 8860099

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
The IUPAC name of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate (CID 18226940) is [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate.
What is the SMILES notation for [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
The canonical SMILES for [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate is COc1cccc(-c2noc(COC(=O)COc3ccc4c(c3)CCC(=O)N4)n2)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
The InChIKey is WHORTEKZVWKSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6/c1-27-15-4-2-3-14(10-15)21-23-19(30-24-21)11-29-20(26)12-28-16-6-7-17-13(9-16)5-8-18(25)22-17/h2-4,6-7,9-10H,5,8,11-12H2,1H3,(H,22,25).
What are the key properties of [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate has a molecular weight of 409.40 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate is sourced from PubChem (CID 18226940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).