2-(2,2-dimethoxyethoxy)-8-methylquinoline

C14H17NO3 — CID 155195689

IUPAC2-(2,2-dimethoxyethoxy)-8-methylquinoline
SMILESCOC(COc1ccc2cccc(C)c2n1)OC
InChIInChI=1S/C14H17NO3/c1-10-5-4-6-11-7-8-12(15-14(10)11)18-9-13(16-2)17-3/h4-8,13H,9H2,1-3H3
InChIKeyVUOZRGNKFIQAJS-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.54
Rot. Bonds5

About 2-(2,2-dimethoxyethoxy)-8-methylquinoline

2-(2,2-dimethoxyethoxy)-8-methylquinoline (PubChem CID 155195689) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethoxy)-8-methylquinoline.

Molecular Properties

Compound Name2-(2,2-dimethoxyethoxy)-8-methylquinoline
PubChem CID155195689
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-(2,2-dimethoxyethoxy)-8-methylquinoline
SMILESCOC(COc1ccc2cccc(C)c2n1)OC
InChIInChI=1S/C14H17NO3/c1-10-5-4-6-11-7-8-12(15-14(10)11)18-9-13(16-2)17-3/h4-8,13H,9H2,1-3H3
InChIKeyVUOZRGNKFIQAJS-UHFFFAOYSA-N
XLogP2.54
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethoxy)-8-methylquinoline?
The IUPAC name of 2-(2,2-dimethoxyethoxy)-8-methylquinoline (CID 155195689) is 2-(2,2-dimethoxyethoxy)-8-methylquinoline.
What is the SMILES notation for 2-(2,2-dimethoxyethoxy)-8-methylquinoline?
The canonical SMILES for 2-(2,2-dimethoxyethoxy)-8-methylquinoline is COC(COc1ccc2cccc(C)c2n1)OC.
What is the InChIKey of 2-(2,2-dimethoxyethoxy)-8-methylquinoline?
The InChIKey is VUOZRGNKFIQAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-5-4-6-11-7-8-12(15-14(10)11)18-9-13(16-2)17-3/h4-8,13H,9H2,1-3H3.
What are the key properties of 2-(2,2-dimethoxyethoxy)-8-methylquinoline?
2-(2,2-dimethoxyethoxy)-8-methylquinoline has a molecular weight of 247.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethoxy)-8-methylquinoline is sourced from PubChem (CID 155195689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).