6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile

C18H19N3O2S — CID 856476

IUPAC6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile
SMILESCOc1ccc2nc(SCC(=O)N3CCCCC3)c(C#N)cc2c1
InChIInChI=1S/C18H19N3O2S/c1-23-15-5-6-16-13(10-15)9-14(11-19)18(20-16)24-12-17(22)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8,12H2,1H3
InChIKeyDGQFGSZQDHRAIV-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.22
Rot. Bonds4

About 6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile

6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile (PubChem CID 856476) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile
PubChem CID856476
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile
SMILESCOc1ccc2nc(SCC(=O)N3CCCCC3)c(C#N)cc2c1
InChIInChI=1S/C18H19N3O2S/c1-23-15-5-6-16-13(10-15)9-14(11-19)18(20-16)24-12-17(22)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8,12H2,1H3
InChIKeyDGQFGSZQDHRAIV-UHFFFAOYSA-N
XLogP3.22
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile?
The IUPAC name of 6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile (CID 856476) is 6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile.
What is the SMILES notation for 6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile?
The canonical SMILES for 6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile is COc1ccc2nc(SCC(=O)N3CCCCC3)c(C#N)cc2c1.
What is the InChIKey of 6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile?
The InChIKey is DGQFGSZQDHRAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-23-15-5-6-16-13(10-15)9-14(11-19)18(20-16)24-12-17(22)21-7-3-2-4-8-21/h5-6,9-10H,2-4,7-8,12H2,1H3.
What are the key properties of 6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile?
6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile has a molecular weight of 341.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinoline-3-carbonitrile is sourced from PubChem (CID 856476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).