4-[2-(3-methylquinolin-2-yl)sulfanylethyl]morpholine

C16H20N2OS — CID 6486972

IUPAC4-[2-(3-methylquinolin-2-yl)sulfanylethyl]morpholine
SMILESCc1cc2ccccc2nc1SCCN1CCOCC1
InChIInChI=1S/C16H20N2OS/c1-13-12-14-4-2-3-5-15(14)17-16(13)20-11-8-18-6-9-19-10-7-18/h2-5,12H,6-11H2,1H3
InChIKeyIVWSDQJRPOZMNQ-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.97
Rot. Bonds4

About 4-[2-(3-methylquinolin-2-yl)sulfanylethyl]morpholine

4-[2-(3-methylquinolin-2-yl)sulfanylethyl]morpholine (PubChem CID 6486972) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-[2-(3-methylquinolin-2-yl)sulfanylethyl]morpholine.

Molecular Properties

Compound Name4-[2-(3-methylquinolin-2-yl)sulfanylethyl]morpholine
PubChem CID6486972
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-[2-(3-methylquinolin-2-yl)sulfanylethyl]morpholine
SMILESCc1cc2ccccc2nc1SCCN1CCOCC1
InChIInChI=1S/C16H20N2OS/c1-13-12-14-4-2-3-5-15(14)17-16(13)20-11-8-18-6-9-19-10-7-18/h2-5,12H,6-11H2,1H3
InChIKeyIVWSDQJRPOZMNQ-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-(3-methylquinolin-2-yl)sulfanylethyl]morpholine?
The IUPAC name of 4-[2-(3-methylquinolin-2-yl)sulfanylethyl]morpholine (CID 6486972) is 4-[2-(3-methylquinolin-2-yl)sulfanylethyl]morpholine.
What is the SMILES notation for 4-[2-(3-methylquinolin-2-yl)sulfanylethyl]morpholine?
The canonical SMILES for 4-[2-(3-methylquinolin-2-yl)sulfanylethyl]morpholine is Cc1cc2ccccc2nc1SCCN1CCOCC1.
What is the InChIKey of 4-[2-(3-methylquinolin-2-yl)sulfanylethyl]morpholine?
The InChIKey is IVWSDQJRPOZMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-13-12-14-4-2-3-5-15(14)17-16(13)20-11-8-18-6-9-19-10-7-18/h2-5,12H,6-11H2,1H3.
What are the key properties of 4-[2-(3-methylquinolin-2-yl)sulfanylethyl]morpholine?
4-[2-(3-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-(3-methylquinolin-2-yl)sulfanylethyl]morpholine is sourced from PubChem (CID 6486972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).