3-quinolin-2-yl-5-thiomorpholin-3-yl-1,2,4-oxadiazole

C15H14N4OS — CID 82903542

IUPAC3-quinolin-2-yl-5-thiomorpholin-3-yl-1,2,4-oxadiazole
SMILESc1ccc2nc(-c3noc(C4CSCCN4)n3)ccc2c1
InChIInChI=1S/C15H14N4OS/c1-2-4-11-10(3-1)5-6-12(17-11)14-18-15(20-19-14)13-9-21-8-7-16-13/h1-6,13,16H,7-9H2
InChIKeyQXFSAYVXBOASPN-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.66
Rot. Bonds2

About 3-quinolin-2-yl-5-thiomorpholin-3-yl-1,2,4-oxadiazole

3-quinolin-2-yl-5-thiomorpholin-3-yl-1,2,4-oxadiazole (PubChem CID 82903542) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-quinolin-2-yl-5-thiomorpholin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-quinolin-2-yl-5-thiomorpholin-3-yl-1,2,4-oxadiazole
PubChem CID82903542
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name3-quinolin-2-yl-5-thiomorpholin-3-yl-1,2,4-oxadiazole
SMILESc1ccc2nc(-c3noc(C4CSCCN4)n3)ccc2c1
InChIInChI=1S/C15H14N4OS/c1-2-4-11-10(3-1)5-6-12(17-11)14-18-15(20-19-14)13-9-21-8-7-16-13/h1-6,13,16H,7-9H2
InChIKeyQXFSAYVXBOASPN-UHFFFAOYSA-N
XLogP2.66
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-quinolin-2-yl-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-quinolin-2-yl-5-thiomorpholin-3-yl-1,2,4-oxadiazole (CID 82903542) is 3-quinolin-2-yl-5-thiomorpholin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-quinolin-2-yl-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-quinolin-2-yl-5-thiomorpholin-3-yl-1,2,4-oxadiazole is c1ccc2nc(-c3noc(C4CSCCN4)n3)ccc2c1.
What is the InChIKey of 3-quinolin-2-yl-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
The InChIKey is QXFSAYVXBOASPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-2-4-11-10(3-1)5-6-12(17-11)14-18-15(20-19-14)13-9-21-8-7-16-13/h1-6,13,16H,7-9H2.
What are the key properties of 3-quinolin-2-yl-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
3-quinolin-2-yl-5-thiomorpholin-3-yl-1,2,4-oxadiazole has a molecular weight of 298.37 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-2-yl-5-thiomorpholin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 82903542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).