ethyl 2-[[2-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetate

C18H18N4O5S — CID 3189402

IUPACethyl 2-[[2-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1nnc(COc2cccc3cccnc23)o1
InChIInChI=1S/C18H18N4O5S/c1-2-25-16(24)9-20-14(23)11-28-18-22-21-15(27-18)10-26-13-7-3-5-12-6-4-8-19-17(12)13/h3-8H,2,9-11H2,1H3,(H,20,23)
InChIKeyPESVSLPBNUSQQD-UHFFFAOYSA-N
MW402.43 g/mol
LogP1.97
Rot. Bonds9

About ethyl 2-[[2-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetate

ethyl 2-[[2-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetate (PubChem CID 3189402) has the molecular formula C18H18N4O5S and a molecular weight of 402.43 g/mol. Its IUPAC name is ethyl 2-[[2-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetate
PubChem CID3189402
Molecular FormulaC18H18N4O5S
Molecular Weight402.43 g/mol
Exact Mass402.10
IUPAC Nameethyl 2-[[2-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1nnc(COc2cccc3cccnc23)o1
InChIInChI=1S/C18H18N4O5S/c1-2-25-16(24)9-20-14(23)11-28-18-22-21-15(27-18)10-26-13-7-3-5-12-6-4-8-19-17(12)13/h3-8H,2,9-11H2,1H3,(H,20,23)
InChIKeyPESVSLPBNUSQQD-UHFFFAOYSA-N
XLogP1.97
TPSA116.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[[2-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetate with MolForge

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Related Compounds

2-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 859157
1-(1H-indol-3-yl)-2-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 1374187
ethyl 2-(N-[2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)acetate
CID 3181386
ethyl 2-[[2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetate
CID 3856127
2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 2482377
ethyl 2-[[5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 864820
N-(4-fluorophenyl)-2-[[5-[(2-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3146739
2-[[2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-N,N-dimethylacetamide
CID 9404518
2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 112786948
[(1-amino-2-quinolin-8-yloxyethylidene)amino] ethyl carbonate
CID 71320098
ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole
CID 110656016

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetate (CID 3189402) is ethyl 2-[[2-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetate is CCOC(=O)CNC(=O)CSc1nnc(COc2cccc3cccnc23)o1.
What is the InChIKey of ethyl 2-[[2-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetate?
The InChIKey is PESVSLPBNUSQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5S/c1-2-25-16(24)9-20-14(23)11-28-18-22-21-15(27-18)10-26-13-7-3-5-12-6-4-8-19-17(12)13/h3-8H,2,9-11H2,1H3,(H,20,23).
What are the key properties of ethyl 2-[[2-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetate?
ethyl 2-[[2-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetate has a molecular weight of 402.43 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetate is sourced from PubChem (CID 3189402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).