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

C19H11ClN4OS — CID 7189833

IUPAC2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
SMILESN#CCSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1
InChIInChI=1S/C19H11ClN4OS/c20-13-7-5-12(6-8-13)17-11-15(14-3-1-2-4-16(14)22-17)18-23-24-19(25-18)26-10-9-21/h1-8,11H,10H2
InChIKeyGBVOIDSCVMUDFK-UHFFFAOYSA-N
MW378.84 g/mol
LogP5.22
Rot. Bonds4

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

2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile (PubChem CID 7189833) has the molecular formula C19H11ClN4OS and a molecular weight of 378.84 g/mol. Its IUPAC name is 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile.

Molecular Properties

Compound Name2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
PubChem CID7189833
Molecular FormulaC19H11ClN4OS
Molecular Weight378.84 g/mol
Exact Mass378.03
IUPAC Name2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
SMILESN#CCSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1
InChIInChI=1S/C19H11ClN4OS/c20-13-7-5-12(6-8-13)17-11-15(14-3-1-2-4-16(14)22-17)18-23-24-19(25-18)26-10-9-21/h1-8,11H,10H2
InChIKeyGBVOIDSCVMUDFK-UHFFFAOYSA-N
XLogP5.22
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.84
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide
CID 2593530
(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
(NE)-N-[2-[[5-[2-(4-chlorophenyl)-6-methoxyquinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethylidene]hydroxylamine
CID 155807533
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 7661147
2-[2-(4-bromophenyl)quinolin-4-yl]-5-phenyl-1,3,4-oxadiazole
CID 3475235
4-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline
CID 56807096
2-[[4-phenyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
CID 18290645
[2-(4-chlorophenyl)quinolin-4-yl]methanamine;hydrochloride
CID 82025623
2-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-5-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-1,3,4-oxadiazole
CID 2114386
2-[[5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 137090733
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 4814680

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
The IUPAC name of 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile (CID 7189833) is 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile.
What is the SMILES notation for 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
The canonical SMILES for 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile is N#CCSc1nnc(-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]acetonitrile?
The InChIKey is GBVOIDSCVMUDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4OS/c20-13-7-5-12(6-8-13)17-11-15(14-3-1-2-4-16(14)22-17)18-23-24-19(25-18)26-10-9-21/h1-8,11H,10H2.
What are the key properties of 2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile has a molecular weight of 378.84 g/mol, XLogP of 5.22, 4 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]acetonitrile is sourced from PubChem (CID 7189833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).