3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol

C16H22N2OS — CID 66102998

IUPAC3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol
SMILESCCNCc1cc2ccccc2nc1SCC(C)CO
InChIInChI=1S/C16H22N2OS/c1-3-17-9-14-8-13-6-4-5-7-15(13)18-16(14)20-11-12(2)10-19/h4-8,12,17,19H,3,9-11H2,1-2H3
InChIKeyLYOSDSQDXMIFDZ-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.06
Rot. Bonds7

About 3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol

3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol (PubChem CID 66102998) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol
PubChem CID66102998
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol
SMILESCCNCc1cc2ccccc2nc1SCC(C)CO
InChIInChI=1S/C16H22N2OS/c1-3-17-9-14-8-13-6-4-5-7-15(13)18-16(14)20-11-12(2)10-19/h4-8,12,17,19H,3,9-11H2,1-2H3
InChIKeyLYOSDSQDXMIFDZ-UHFFFAOYSA-N
XLogP3.06
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol (CID 66102998) is 3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol is CCNCc1cc2ccccc2nc1SCC(C)CO.
What is the InChIKey of 3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol?
The InChIKey is LYOSDSQDXMIFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-3-17-9-14-8-13-6-4-5-7-15(13)18-16(14)20-11-12(2)10-19/h4-8,12,17,19H,3,9-11H2,1-2H3.
What are the key properties of 3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol?
3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol has a molecular weight of 290.43 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylaminomethyl)quinolin-2-yl]sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 66102998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).