2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide

C21H17ClN4O2S — CID 2593530

IUPAC2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide
SMILESCCNC(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1
InChIInChI=1S/C21H17ClN4O2S/c1-2-23-19(27)12-29-21-26-25-20(28-21)16-11-18(13-7-9-14(22)10-8-13)24-17-6-4-3-5-15(16)17/h3-11H,2,12H2,1H3,(H,23,27)
InChIKeyUCTCPUKMLOXGTK-UHFFFAOYSA-N
MW424.91 g/mol
LogP4.83
Rot. Bonds6

About 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide

2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide (PubChem CID 2593530) has the molecular formula C21H17ClN4O2S and a molecular weight of 424.91 g/mol. Its IUPAC name is 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide
PubChem CID2593530
Molecular FormulaC21H17ClN4O2S
Molecular Weight424.91 g/mol
Exact Mass424.08
IUPAC Name2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide
SMILESCCNC(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1
InChIInChI=1S/C21H17ClN4O2S/c1-2-23-19(27)12-29-21-26-25-20(28-21)16-11-18(13-7-9-14(22)10-8-13)24-17-6-4-3-5-15(16)17/h3-11H,2,12H2,1H3,(H,23,27)
InChIKeyUCTCPUKMLOXGTK-UHFFFAOYSA-N
XLogP4.83
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide with MolForge

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Related Compounds

2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 7189833
(2S)-2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9441676
(3S,5R)-3-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-5-methyloxolan-2-one
CID 41022846
N-(4-acetylphenyl)-2-[[5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 155810737
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 98419585
(NE)-N-[2-[[5-[2-(4-chlorophenyl)-6-methoxyquinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethylidene]hydroxylamine
CID 155807533
N-benzyl-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1139618
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N',N'-diphenylacetohydrazide
CID 3947725
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 7907076
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylquinolin-4-yl)acetamide
CID 5022517
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7907035
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 43952642

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide?
The IUPAC name of 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide (CID 2593530) is 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide.
What is the SMILES notation for 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide?
The canonical SMILES for 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide is CCNC(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1.
What is the InChIKey of 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide?
The InChIKey is UCTCPUKMLOXGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2S/c1-2-23-19(27)12-29-21-26-25-20(28-21)16-11-18(13-7-9-14(22)10-8-13)24-17-6-4-3-5-15(16)17/h3-11H,2,12H2,1H3,(H,23,27).
What are the key properties of 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide?
2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide has a molecular weight of 424.91 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide is sourced from PubChem (CID 2593530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).