5-[1-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethyl]-3-methyl-1,2,4-oxadiazole

C21H19N3O2S — CID 42941816

IUPAC5-[1-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccc2c(-c3ccccc3)cc(SC(C)c3nc(C)no3)nc2c1
InChIInChI=1S/C21H19N3O2S/c1-13(21-22-14(2)24-26-21)27-20-12-18(15-7-5-4-6-8-15)17-10-9-16(25-3)11-19(17)23-20/h4-13H,1-3H3
InChIKeyORVROZLSKCFOBM-UHFFFAOYSA-N
MW377.47 g/mol
LogP5.46
Rot. Bonds5

About 5-[1-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethyl]-3-methyl-1,2,4-oxadiazole

5-[1-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 42941816) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 5-[1-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID42941816
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name5-[1-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccc2c(-c3ccccc3)cc(SC(C)c3nc(C)no3)nc2c1
InChIInChI=1S/C21H19N3O2S/c1-13(21-22-14(2)24-26-21)27-20-12-18(15-7-5-4-6-8-15)17-10-9-16(25-3)11-19(17)23-20/h4-13H,1-3H3
InChIKeyORVROZLSKCFOBM-UHFFFAOYSA-N
XLogP5.46
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.47
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethyl]-3-methyl-1,2,4-oxadiazole (CID 42941816) is 5-[1-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethyl]-3-methyl-1,2,4-oxadiazole is COc1ccc2c(-c3ccccc3)cc(SC(C)c3nc(C)no3)nc2c1.
What is the InChIKey of 5-[1-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is ORVROZLSKCFOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-13(21-22-14(2)24-26-21)27-20-12-18(15-7-5-4-6-8-15)17-10-9-16(25-3)11-19(17)23-20/h4-13H,1-3H3.
What are the key properties of 5-[1-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethyl]-3-methyl-1,2,4-oxadiazole?
5-[1-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 377.47 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(7-methoxy-4-phenylquinolin-2-yl)sulfanylethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 42941816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).