2-[3-[(2-methoxyethylamino)methyl]quinolin-2-yl]sulfanylethanol

C15H20N2O2S — CID 63809105

IUPAC2-[3-[(2-methoxyethylamino)methyl]quinolin-2-yl]sulfanylethanol
SMILESCOCCNCc1cc2ccccc2nc1SCCO
InChIInChI=1S/C15H20N2O2S/c1-19-8-6-16-11-13-10-12-4-2-3-5-14(12)17-15(13)20-9-7-18/h2-5,10,16,18H,6-9,11H2,1H3
InChIKeyQNPLAWLIBLHHST-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.06
Rot. Bonds8

About 2-[3-[(2-methoxyethylamino)methyl]quinolin-2-yl]sulfanylethanol

2-[3-[(2-methoxyethylamino)methyl]quinolin-2-yl]sulfanylethanol (PubChem CID 63809105) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-[3-[(2-methoxyethylamino)methyl]quinolin-2-yl]sulfanylethanol.

Molecular Properties

Compound Name2-[3-[(2-methoxyethylamino)methyl]quinolin-2-yl]sulfanylethanol
PubChem CID63809105
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-[3-[(2-methoxyethylamino)methyl]quinolin-2-yl]sulfanylethanol
SMILESCOCCNCc1cc2ccccc2nc1SCCO
InChIInChI=1S/C15H20N2O2S/c1-19-8-6-16-11-13-10-12-4-2-3-5-14(12)17-15(13)20-9-7-18/h2-5,10,16,18H,6-9,11H2,1H3
InChIKeyQNPLAWLIBLHHST-UHFFFAOYSA-N
XLogP2.06
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methoxyethylamino)methyl]quinolin-2-yl]sulfanylethanol?
The IUPAC name of 2-[3-[(2-methoxyethylamino)methyl]quinolin-2-yl]sulfanylethanol (CID 63809105) is 2-[3-[(2-methoxyethylamino)methyl]quinolin-2-yl]sulfanylethanol.
What is the SMILES notation for 2-[3-[(2-methoxyethylamino)methyl]quinolin-2-yl]sulfanylethanol?
The canonical SMILES for 2-[3-[(2-methoxyethylamino)methyl]quinolin-2-yl]sulfanylethanol is COCCNCc1cc2ccccc2nc1SCCO.
What is the InChIKey of 2-[3-[(2-methoxyethylamino)methyl]quinolin-2-yl]sulfanylethanol?
The InChIKey is QNPLAWLIBLHHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-19-8-6-16-11-13-10-12-4-2-3-5-14(12)17-15(13)20-9-7-18/h2-5,10,16,18H,6-9,11H2,1H3.
What are the key properties of 2-[3-[(2-methoxyethylamino)methyl]quinolin-2-yl]sulfanylethanol?
2-[3-[(2-methoxyethylamino)methyl]quinolin-2-yl]sulfanylethanol has a molecular weight of 292.40 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methoxyethylamino)methyl]quinolin-2-yl]sulfanylethanol is sourced from PubChem (CID 63809105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).