2-(6,7-dimethoxyquinolin-2-yl)ethanol

C13H15NO3 — CID 91665827

IUPAC2-(6,7-dimethoxyquinolin-2-yl)ethanol
SMILESCOc1cc2ccc(CCO)nc2cc1OC
InChIInChI=1S/C13H15NO3/c1-16-12-7-9-3-4-10(5-6-15)14-11(9)8-13(12)17-2/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyGHYMYXBTOSGKGN-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.79
Rot. Bonds4

About 2-(6,7-dimethoxyquinolin-2-yl)ethanol

2-(6,7-dimethoxyquinolin-2-yl)ethanol (PubChem CID 91665827) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(6,7-dimethoxyquinolin-2-yl)ethanol.

Molecular Properties

Compound Name2-(6,7-dimethoxyquinolin-2-yl)ethanol
PubChem CID91665827
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-(6,7-dimethoxyquinolin-2-yl)ethanol
SMILESCOc1cc2ccc(CCO)nc2cc1OC
InChIInChI=1S/C13H15NO3/c1-16-12-7-9-3-4-10(5-6-15)14-11(9)8-13(12)17-2/h3-4,7-8,15H,5-6H2,1-2H3
InChIKeyGHYMYXBTOSGKGN-UHFFFAOYSA-N
XLogP1.79
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxyquinolin-2-yl)ethanol?
The IUPAC name of 2-(6,7-dimethoxyquinolin-2-yl)ethanol (CID 91665827) is 2-(6,7-dimethoxyquinolin-2-yl)ethanol.
What is the SMILES notation for 2-(6,7-dimethoxyquinolin-2-yl)ethanol?
The canonical SMILES for 2-(6,7-dimethoxyquinolin-2-yl)ethanol is COc1cc2ccc(CCO)nc2cc1OC.
What is the InChIKey of 2-(6,7-dimethoxyquinolin-2-yl)ethanol?
The InChIKey is GHYMYXBTOSGKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-16-12-7-9-3-4-10(5-6-15)14-11(9)8-13(12)17-2/h3-4,7-8,15H,5-6H2,1-2H3.
What are the key properties of 2-(6,7-dimethoxyquinolin-2-yl)ethanol?
2-(6,7-dimethoxyquinolin-2-yl)ethanol has a molecular weight of 233.27 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxyquinolin-2-yl)ethanol is sourced from PubChem (CID 91665827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).