4-[2-(4,7,8-trimethylquinolin-2-yl)sulfanylethyl]morpholine

C18H24N2OS — CID 864309

IUPAC4-[2-(4,7,8-trimethylquinolin-2-yl)sulfanylethyl]morpholine
SMILESCc1ccc2c(C)cc(SCCN3CCOCC3)nc2c1C
InChIInChI=1S/C18H24N2OS/c1-13-4-5-16-14(2)12-17(19-18(16)15(13)3)22-11-8-20-6-9-21-10-7-20/h4-5,12H,6-11H2,1-3H3
InChIKeyMBKZBTIJBRVGIA-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.58
Rot. Bonds4

About 4-[2-(4,7,8-trimethylquinolin-2-yl)sulfanylethyl]morpholine

4-[2-(4,7,8-trimethylquinolin-2-yl)sulfanylethyl]morpholine (PubChem CID 864309) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 4-[2-(4,7,8-trimethylquinolin-2-yl)sulfanylethyl]morpholine.

Molecular Properties

Compound Name4-[2-(4,7,8-trimethylquinolin-2-yl)sulfanylethyl]morpholine
PubChem CID864309
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name4-[2-(4,7,8-trimethylquinolin-2-yl)sulfanylethyl]morpholine
SMILESCc1ccc2c(C)cc(SCCN3CCOCC3)nc2c1C
InChIInChI=1S/C18H24N2OS/c1-13-4-5-16-14(2)12-17(19-18(16)15(13)3)22-11-8-20-6-9-21-10-7-20/h4-5,12H,6-11H2,1-3H3
InChIKeyMBKZBTIJBRVGIA-UHFFFAOYSA-N
XLogP3.58
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4,7,8-trimethylquinolin-2-yl)sulfanylethyl]morpholine?
The IUPAC name of 4-[2-(4,7,8-trimethylquinolin-2-yl)sulfanylethyl]morpholine (CID 864309) is 4-[2-(4,7,8-trimethylquinolin-2-yl)sulfanylethyl]morpholine.
What is the SMILES notation for 4-[2-(4,7,8-trimethylquinolin-2-yl)sulfanylethyl]morpholine?
The canonical SMILES for 4-[2-(4,7,8-trimethylquinolin-2-yl)sulfanylethyl]morpholine is Cc1ccc2c(C)cc(SCCN3CCOCC3)nc2c1C.
What is the InChIKey of 4-[2-(4,7,8-trimethylquinolin-2-yl)sulfanylethyl]morpholine?
The InChIKey is MBKZBTIJBRVGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-13-4-5-16-14(2)12-17(19-18(16)15(13)3)22-11-8-20-6-9-21-10-7-20/h4-5,12H,6-11H2,1-3H3.
What are the key properties of 4-[2-(4,7,8-trimethylquinolin-2-yl)sulfanylethyl]morpholine?
4-[2-(4,7,8-trimethylquinolin-2-yl)sulfanylethyl]morpholine has a molecular weight of 316.47 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,7,8-trimethylquinolin-2-yl)sulfanylethyl]morpholine is sourced from PubChem (CID 864309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).