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

C23H21ClN4O2S — CID 2593526

IUPAC2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1
InChIInChI=1S/C23H21ClN4O2S/c1-3-28(4-2)21(29)14-31-23-27-26-22(30-23)18-13-20(15-9-11-16(24)12-10-15)25-19-8-6-5-7-17(18)19/h5-13H,3-4,14H2,1-2H3
InChIKeyWGQRWSAUNWIKKA-UHFFFAOYSA-N
MW452.97 g/mol
LogP5.57
Rot. Bonds7

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

2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide (PubChem CID 2593526) has the molecular formula C23H21ClN4O2S and a molecular weight of 452.97 g/mol. Its IUPAC name is 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide
PubChem CID2593526
Molecular FormulaC23H21ClN4O2S
Molecular Weight452.97 g/mol
Exact Mass452.11
IUPAC Name2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1
InChIInChI=1S/C23H21ClN4O2S/c1-3-28(4-2)21(29)14-31-23-27-26-22(30-23)18-13-20(15-9-11-16(24)12-10-15)25-19-8-6-5-7-17(18)19/h5-13H,3-4,14H2,1-2H3
InChIKeyWGQRWSAUNWIKKA-UHFFFAOYSA-N
XLogP5.57
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.97
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide 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 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide (CID 2593526) is 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide is CCN(CC)C(=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,N-diethylacetamide?
The InChIKey is WGQRWSAUNWIKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2S/c1-3-28(4-2)21(29)14-31-23-27-26-22(30-23)18-13-20(15-9-11-16(24)12-10-15)25-19-8-6-5-7-17(18)19/h5-13H,3-4,14H2,1-2H3.
What are the key properties of 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide?
2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide has a molecular weight of 452.97 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 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,N-diethylacetamide is sourced from PubChem (CID 2593526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).