7-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoline-3-carbonitrile

C18H19N3O3S — CID 648826

IUPAC7-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoline-3-carbonitrile
SMILESCCOc1ccc2cc(C#N)c(SCC(=O)N3CCOCC3)nc2c1
InChIInChI=1S/C18H19N3O3S/c1-2-24-15-4-3-13-9-14(11-19)18(20-16(13)10-15)25-12-17(22)21-5-7-23-8-6-21/h3-4,9-10H,2,5-8,12H2,1H3
InChIKeyLPLJTWXUSGRTJG-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.46
Rot. Bonds5

About 7-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoline-3-carbonitrile

7-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoline-3-carbonitrile (PubChem CID 648826) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 7-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoline-3-carbonitrile.

Molecular Properties

Compound Name7-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoline-3-carbonitrile
PubChem CID648826
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name7-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoline-3-carbonitrile
SMILESCCOc1ccc2cc(C#N)c(SCC(=O)N3CCOCC3)nc2c1
InChIInChI=1S/C18H19N3O3S/c1-2-24-15-4-3-13-9-14(11-19)18(20-16(13)10-15)25-12-17(22)21-5-7-23-8-6-21/h3-4,9-10H,2,5-8,12H2,1H3
InChIKeyLPLJTWXUSGRTJG-UHFFFAOYSA-N
XLogP2.46
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N'-acetyl-2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetohydrazide
CID 855603
6-[[2-(4-Morpholinyl)-2-oxoethyl]thio]-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
CID 1450725
2-{[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}-N,N-diethylacetamide
CID 1239697
7-(2-Oxopropylsulfanyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile
CID 1433869
6,7-Dimethoxy-2-(2-morpholin-4-yl-2-oxo-ethylsulfanyl)-quinoline-3-carbonitrile
CID 1450753
2-(2-Azepan-1-yl-2-oxo-ethylsulfanyl)-6-ethoxy-quinoline-3-carbonitrile
CID 645085
7-Ethoxy-2-[2-(4-methyl-piperidin-1-yl)-2-oxo-ethylsulfanyl]-quinoline-3-carbonitrile
CID 648869
(3-Cyano-7-methoxy-quinolin-2-ylsulfanyl)-acetic acid ethyl ester
CID 651177
(3-Cyano-7-ethoxy-quinolin-2-ylsulfanyl)-acetic acid methyl ester
CID 656128
(3-Cyano-7-methoxy-quinolin-2-ylsulfanyl)-acetic acid methyl ester
CID 656385
2-(7-Methyl-[1,3]dioxolo[4,5-g]quinolin-6-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 859517
2-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethylsulfanyl}-6-methoxy-quinoline-3-carbonitrile
CID 1450430

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoline-3-carbonitrile?
The IUPAC name of 7-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoline-3-carbonitrile (CID 648826) is 7-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoline-3-carbonitrile.
What is the SMILES notation for 7-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoline-3-carbonitrile?
The canonical SMILES for 7-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoline-3-carbonitrile is CCOc1ccc2cc(C#N)c(SCC(=O)N3CCOCC3)nc2c1.
What is the InChIKey of 7-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoline-3-carbonitrile?
The InChIKey is LPLJTWXUSGRTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-2-24-15-4-3-13-9-14(11-19)18(20-16(13)10-15)25-12-17(22)21-5-7-23-8-6-21/h3-4,9-10H,2,5-8,12H2,1H3.
What are the key properties of 7-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoline-3-carbonitrile?
7-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoline-3-carbonitrile has a molecular weight of 357.44 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylquinoline-3-carbonitrile is sourced from PubChem (CID 648826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).