2-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole

C19H14ClN3O2S — CID 38871783

IUPAC2-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccccc1-c1nnc(SCc2ccc(Cl)c3cccnc23)o1
InChIInChI=1S/C19H14ClN3O2S/c1-24-16-7-3-2-5-14(16)18-22-23-19(25-18)26-11-12-8-9-15(20)13-6-4-10-21-17(12)13/h2-10H,11H2,1H3
InChIKeyNNRQGAYQUIBSAY-UHFFFAOYSA-N
MW383.86 g/mol
LogP5.24
Rot. Bonds5

About 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole

2-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 38871783) has the molecular formula C19H14ClN3O2S and a molecular weight of 383.86 g/mol. Its IUPAC name is 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID38871783
Molecular FormulaC19H14ClN3O2S
Molecular Weight383.86 g/mol
Exact Mass383.05
IUPAC Name2-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccccc1-c1nnc(SCc2ccc(Cl)c3cccnc23)o1
InChIInChI=1S/C19H14ClN3O2S/c1-24-16-7-3-2-5-14(16)18-22-23-19(25-18)26-11-12-8-9-15(20)13-6-4-10-21-17(12)13/h2-10H,11H2,1H3
InChIKeyNNRQGAYQUIBSAY-UHFFFAOYSA-N
XLogP5.24
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.86
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methoxyphenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 7683141
2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole
CID 51279943
2-[(2,6-dichlorophenyl)methylsulfanyl]-5-(2-ethoxyphenyl)-1,3,4-oxadiazole
CID 39534012
2-(2-methoxyphenyl)-5-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 112787266
2-[(2,4-dichlorophenyl)methylsulfanyl]-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 9067334
2-(2-methoxyphenyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 42973326
2-[(6-fluoroquinolin-8-yl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 38833062
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 9484090
2-(2-methoxyphenyl)-5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 33343001
2-(2-methoxyphenyl)-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 42988977
2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 135588019
3-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 9484094

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole (CID 38871783) is 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole is COc1ccccc1-c1nnc(SCc2ccc(Cl)c3cccnc23)o1.
What is the InChIKey of 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is NNRQGAYQUIBSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2S/c1-24-16-7-3-2-5-14(16)18-22-23-19(25-18)26-11-12-8-9-15(20)13-6-4-10-21-17(12)13/h2-10H,11H2,1H3.
What are the key properties of 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole?
2-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 383.86 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 38871783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).