2-(2-ethylthiomorpholin-4-yl)quinoline-4-carbonitrile

C16H17N3S — CID 115658711

IUPAC2-(2-ethylthiomorpholin-4-yl)quinoline-4-carbonitrile
SMILESCCC1CN(c2cc(C#N)c3ccccc3n2)CCS1
InChIInChI=1S/C16H17N3S/c1-2-13-11-19(7-8-20-13)16-9-12(10-17)14-5-3-4-6-15(14)18-16/h3-6,9,13H,2,7-8,11H2,1H3
InChIKeyDBJSMQRUDIQNNV-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.44
Rot. Bonds2

About 2-(2-ethylthiomorpholin-4-yl)quinoline-4-carbonitrile

2-(2-ethylthiomorpholin-4-yl)quinoline-4-carbonitrile (PubChem CID 115658711) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-(2-ethylthiomorpholin-4-yl)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(2-ethylthiomorpholin-4-yl)quinoline-4-carbonitrile
PubChem CID115658711
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name2-(2-ethylthiomorpholin-4-yl)quinoline-4-carbonitrile
SMILESCCC1CN(c2cc(C#N)c3ccccc3n2)CCS1
InChIInChI=1S/C16H17N3S/c1-2-13-11-19(7-8-20-13)16-9-12(10-17)14-5-3-4-6-15(14)18-16/h3-6,9,13H,2,7-8,11H2,1H3
InChIKeyDBJSMQRUDIQNNV-UHFFFAOYSA-N
XLogP3.44
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylthiomorpholin-4-yl)-6-methylpyridine-4-carbonitrile
CID 114766685
2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile
CID 63884859
2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile
CID 63883511
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carbonitrile
CID 66371449
2-(4-methyl-1,4-diazepan-1-yl)quinoline-4-carbonitrile
CID 63883709
N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide
CID 165435188
2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]quinoline-4-carbonitrile
CID 146074701
2-[4-[4-(4-ethylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]quinoline-4-carbonitrile
CID 154830062
2-(3-hydroxy-3-methylpiperidin-1-yl)quinoline-4-carbonitrile
CID 115871328
2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoline-4-carbonitrile
CID 171334885
2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile
CID 127386584
2-(2-formylpiperidin-1-yl)quinoline-4-carbonitrile
CID 63886612

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylthiomorpholin-4-yl)quinoline-4-carbonitrile?
The IUPAC name of 2-(2-ethylthiomorpholin-4-yl)quinoline-4-carbonitrile (CID 115658711) is 2-(2-ethylthiomorpholin-4-yl)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(2-ethylthiomorpholin-4-yl)quinoline-4-carbonitrile?
The canonical SMILES for 2-(2-ethylthiomorpholin-4-yl)quinoline-4-carbonitrile is CCC1CN(c2cc(C#N)c3ccccc3n2)CCS1.
What is the InChIKey of 2-(2-ethylthiomorpholin-4-yl)quinoline-4-carbonitrile?
The InChIKey is DBJSMQRUDIQNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-2-13-11-19(7-8-20-13)16-9-12(10-17)14-5-3-4-6-15(14)18-16/h3-6,9,13H,2,7-8,11H2,1H3.
What are the key properties of 2-(2-ethylthiomorpholin-4-yl)quinoline-4-carbonitrile?
2-(2-ethylthiomorpholin-4-yl)quinoline-4-carbonitrile has a molecular weight of 283.40 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylthiomorpholin-4-yl)quinoline-4-carbonitrile is sourced from PubChem (CID 115658711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).