4-[2-(4-methylquinolin-2-yl)sulfanylethyl]morpholine

C16H20N2OS — CID 864909

IUPAC4-[2-(4-methylquinolin-2-yl)sulfanylethyl]morpholine
SMILESCc1cc(SCCN2CCOCC2)nc2ccccc12
InChIInChI=1S/C16H20N2OS/c1-13-12-16(17-15-5-3-2-4-14(13)15)20-11-8-18-6-9-19-10-7-18/h2-5,12H,6-11H2,1H3
InChIKeyQHWDBDDLVNWKNL-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.97
Rot. Bonds4

About 4-[2-(4-methylquinolin-2-yl)sulfanylethyl]morpholine

4-[2-(4-methylquinolin-2-yl)sulfanylethyl]morpholine (PubChem CID 864909) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-[2-(4-methylquinolin-2-yl)sulfanylethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4-methylquinolin-2-yl)sulfanylethyl]morpholine
PubChem CID864909
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-[2-(4-methylquinolin-2-yl)sulfanylethyl]morpholine
SMILESCc1cc(SCCN2CCOCC2)nc2ccccc12
InChIInChI=1S/C16H20N2OS/c1-13-12-16(17-15-5-3-2-4-14(13)15)20-11-8-18-6-9-19-10-7-18/h2-5,12H,6-11H2,1H3
InChIKeyQHWDBDDLVNWKNL-UHFFFAOYSA-N
XLogP2.97
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylquinolin-2-yl)sulfanylethyl]morpholine?
The IUPAC name of 4-[2-(4-methylquinolin-2-yl)sulfanylethyl]morpholine (CID 864909) is 4-[2-(4-methylquinolin-2-yl)sulfanylethyl]morpholine.
What is the SMILES notation for 4-[2-(4-methylquinolin-2-yl)sulfanylethyl]morpholine?
The canonical SMILES for 4-[2-(4-methylquinolin-2-yl)sulfanylethyl]morpholine is Cc1cc(SCCN2CCOCC2)nc2ccccc12.
What is the InChIKey of 4-[2-(4-methylquinolin-2-yl)sulfanylethyl]morpholine?
The InChIKey is QHWDBDDLVNWKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-13-12-16(17-15-5-3-2-4-14(13)15)20-11-8-18-6-9-19-10-7-18/h2-5,12H,6-11H2,1H3.
What are the key properties of 4-[2-(4-methylquinolin-2-yl)sulfanylethyl]morpholine?
4-[2-(4-methylquinolin-2-yl)sulfanylethyl]morpholine has a molecular weight of 288.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylquinolin-2-yl)sulfanylethyl]morpholine is sourced from PubChem (CID 864909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).