6-methoxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinoline-3-carbonitrile

C20H14N4O2S — CID 1123938

IUPAC6-methoxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinoline-3-carbonitrile
SMILESCOc1ccc2nc(SCc3nnc(-c4ccccc4)o3)c(C#N)cc2c1
InChIInChI=1S/C20H14N4O2S/c1-25-16-7-8-17-14(10-16)9-15(11-21)20(22-17)27-12-18-23-24-19(26-18)13-5-3-2-4-6-13/h2-10H,12H2,1H3
InChIKeyWXSHQRSJEZHPJA-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.46
Rot. Bonds5

About 6-methoxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinoline-3-carbonitrile

6-methoxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinoline-3-carbonitrile (PubChem CID 1123938) has the molecular formula C20H14N4O2S and a molecular weight of 374.43 g/mol. Its IUPAC name is 6-methoxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinoline-3-carbonitrile
PubChem CID1123938
Molecular FormulaC20H14N4O2S
Molecular Weight374.43 g/mol
Exact Mass374.08
IUPAC Name6-methoxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinoline-3-carbonitrile
SMILESCOc1ccc2nc(SCc3nnc(-c4ccccc4)o3)c(C#N)cc2c1
InChIInChI=1S/C20H14N4O2S/c1-25-16-7-8-17-14(10-16)9-15(11-21)20(22-17)27-12-18-23-24-19(26-18)13-5-3-2-4-6-13/h2-10H,12H2,1H3
InChIKeyWXSHQRSJEZHPJA-UHFFFAOYSA-N
XLogP4.46
TPSA84.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinoline-3-carbonitrile 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

7-Methyl-6-(5-p-tolyl-[1,3,4]oxadiazol-2-ylmethylsulfanyl)-[1,3]dioxolo[4,5-g]quinoline
CID 652308
4-(3,4-Dimethoxyphenyl)-2-(((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)thio)-6-(p-tolyl)nicotinonitrile
CID 3130341
4-(2-Methoxy-phenyl)-2-(5-phenyl-[1,3,4]oxadiazol-2-ylmethylsulfanyl)-6-p-tolyl-nicotinonitrile
CID 3131327
Ethanone, 2-((6-methoxy-2-methyl-4-quinolinyl)thio)-1-phenyl-
CID 855479
2-[2-(4-Fluorophenyl)-2-oxoethyl]sulfanyl-6-methoxyquinoline-3-carbonitrile
CID 1450455
(2R)-7-methoxy-2-phenyl-2H-thiopyrano[2,3-b]quinoline-3-carbaldehyde
CID 139262085
2-(6-Ethoxy-3-methylquinolin-2-yl)sulfanyl-1-(4-fluorophenyl)ethanone
CID 1134604
6-Ethoxy-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylquinoline-3-carbonitrile
CID 43812446
2-(3-Ethylquinolin-2-yl)sulfanyl-1-(3-methoxyphenyl)ethanone
CID 855438
Ethyl 4-[[2-(3-cyano-6-methoxyquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1164470
2-[2-(3-Methoxyphenyl)-2-oxoethyl]sulfanyl-5,7-dimethylquinoline-3-carbonitrile
CID 1450336
N-(3-acetylphenyl)-2-(3-cyano-6-methoxyquinolin-2-yl)sulfanylacetamide
CID 1450438

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinoline-3-carbonitrile?
The IUPAC name of 6-methoxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinoline-3-carbonitrile (CID 1123938) is 6-methoxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinoline-3-carbonitrile.
What is the SMILES notation for 6-methoxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinoline-3-carbonitrile?
The canonical SMILES for 6-methoxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinoline-3-carbonitrile is COc1ccc2nc(SCc3nnc(-c4ccccc4)o3)c(C#N)cc2c1.
What is the InChIKey of 6-methoxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinoline-3-carbonitrile?
The InChIKey is WXSHQRSJEZHPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2S/c1-25-16-7-8-17-14(10-16)9-15(11-21)20(22-17)27-12-18-23-24-19(26-18)13-5-3-2-4-6-13/h2-10H,12H2,1H3.
What are the key properties of 6-methoxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinoline-3-carbonitrile?
6-methoxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinoline-3-carbonitrile has a molecular weight of 374.43 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinoline-3-carbonitrile is sourced from PubChem (CID 1123938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).