2-(3,4-dimethoxyphenyl)quinoline

C17H15NO2 — CID 2817404

IUPAC2-(3,4-dimethoxyphenyl)quinoline
SMILESCOc1ccc(-c2ccc3ccccc3n2)cc1OC
InChIInChI=1S/C17H15NO2/c1-19-16-10-8-13(11-17(16)20-2)15-9-7-12-5-3-4-6-14(12)18-15/h3-11H,1-2H3
InChIKeyISKBHMWSKJQZCB-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.92
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)quinoline

2-(3,4-dimethoxyphenyl)quinoline (PubChem CID 2817404) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)quinoline.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)quinoline
PubChem CID2817404
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name2-(3,4-dimethoxyphenyl)quinoline
SMILESCOc1ccc(-c2ccc3ccccc3n2)cc1OC
InChIInChI=1S/C17H15NO2/c1-19-16-10-8-13(11-17(16)20-2)15-9-7-12-5-3-4-6-14(12)18-15/h3-11H,1-2H3
InChIKeyISKBHMWSKJQZCB-UHFFFAOYSA-N
XLogP3.92
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)quinoline?
The IUPAC name of 2-(3,4-dimethoxyphenyl)quinoline (CID 2817404) is 2-(3,4-dimethoxyphenyl)quinoline.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)quinoline?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)quinoline is COc1ccc(-c2ccc3ccccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)quinoline?
The InChIKey is ISKBHMWSKJQZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-19-16-10-8-13(11-17(16)20-2)15-9-7-12-5-3-4-6-14(12)18-15/h3-11H,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)quinoline?
2-(3,4-dimethoxyphenyl)quinoline has a molecular weight of 265.31 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)quinoline is sourced from PubChem (CID 2817404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).