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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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).