7-methoxy-2-(2-morpholin-4-ylethylsulfanyl)quinoline-3-carbonitrile

C17H19N3O2S — CID 855533

IUPAC7-methoxy-2-(2-morpholin-4-ylethylsulfanyl)quinoline-3-carbonitrile
SMILESCOc1ccc2cc(C#N)c(SCCN3CCOCC3)nc2c1
InChIInChI=1S/C17H19N3O2S/c1-21-15-3-2-13-10-14(12-18)17(19-16(13)11-15)23-9-6-20-4-7-22-8-5-20/h2-3,10-11H,4-9H2,1H3
InChIKeyIIZOQUKYTFNBDR-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.54
Rot. Bonds5

About 7-methoxy-2-(2-morpholin-4-ylethylsulfanyl)quinoline-3-carbonitrile

7-methoxy-2-(2-morpholin-4-ylethylsulfanyl)quinoline-3-carbonitrile (PubChem CID 855533) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 7-methoxy-2-(2-morpholin-4-ylethylsulfanyl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-methoxy-2-(2-morpholin-4-ylethylsulfanyl)quinoline-3-carbonitrile
PubChem CID855533
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name7-methoxy-2-(2-morpholin-4-ylethylsulfanyl)quinoline-3-carbonitrile
SMILESCOc1ccc2cc(C#N)c(SCCN3CCOCC3)nc2c1
InChIInChI=1S/C17H19N3O2S/c1-21-15-3-2-13-10-14(12-18)17(19-16(13)11-15)23-9-6-20-4-7-22-8-5-20/h2-3,10-11H,4-9H2,1H3
InChIKeyIIZOQUKYTFNBDR-UHFFFAOYSA-N
XLogP2.54
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanylethyl]morpholine;hydrochloride
CID 171668654
CID 10264721
CID 10264721
7-methoxy-2-(2-morpholin-4-ylethylamino)quinoline-3-carboxylic acid
CID 10246128
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 1433864
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1450449
6-(4-methylphenyl)-2-(2-morpholin-4-ylethylsulfanyl)-4-phenylpyridine-3-carbonitrile
CID 3133383
4-methoxy-N-[[5-(2-morpholin-4-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 23797546
methyl 2-(3-cyano-7-methylquinolin-2-yl)sulfanylacetate
CID 654307
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-(4-methoxy-2-nitrophenyl)acetamide
CID 3138422
4-[2-(6-methoxynaphthalen-2-yl)propyl]morpholine
CID 3055313
4-[2-(3-methoxy-5-nitrophenyl)sulfanylethyl]morpholine
CID 90159523

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(2-morpholin-4-ylethylsulfanyl)quinoline-3-carbonitrile?
The IUPAC name of 7-methoxy-2-(2-morpholin-4-ylethylsulfanyl)quinoline-3-carbonitrile (CID 855533) is 7-methoxy-2-(2-morpholin-4-ylethylsulfanyl)quinoline-3-carbonitrile.
What is the SMILES notation for 7-methoxy-2-(2-morpholin-4-ylethylsulfanyl)quinoline-3-carbonitrile?
The canonical SMILES for 7-methoxy-2-(2-morpholin-4-ylethylsulfanyl)quinoline-3-carbonitrile is COc1ccc2cc(C#N)c(SCCN3CCOCC3)nc2c1.
What is the InChIKey of 7-methoxy-2-(2-morpholin-4-ylethylsulfanyl)quinoline-3-carbonitrile?
The InChIKey is IIZOQUKYTFNBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-21-15-3-2-13-10-14(12-18)17(19-16(13)11-15)23-9-6-20-4-7-22-8-5-20/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 7-methoxy-2-(2-morpholin-4-ylethylsulfanyl)quinoline-3-carbonitrile?
7-methoxy-2-(2-morpholin-4-ylethylsulfanyl)quinoline-3-carbonitrile has a molecular weight of 329.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(2-morpholin-4-ylethylsulfanyl)quinoline-3-carbonitrile is sourced from PubChem (CID 855533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).