2-[2-(3,4-dimethoxyphenyl)ethyl]quinoline

C19H19NO2 — CID 11483233

IUPAC2-[2-(3,4-dimethoxyphenyl)ethyl]quinoline
SMILESCOc1ccc(CCc2ccc3ccccc3n2)cc1OC
InChIInChI=1S/C19H19NO2/c1-21-18-12-8-14(13-19(18)22-2)7-10-16-11-9-15-5-3-4-6-17(15)20-16/h3-6,8-9,11-13H,7,10H2,1-2H3
InChIKeyOXJATSFPAYFXMW-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.04
Rot. Bonds5

About 2-[2-(3,4-dimethoxyphenyl)ethyl]quinoline

2-[2-(3,4-dimethoxyphenyl)ethyl]quinoline (PubChem CID 11483233) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethyl]quinoline.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethyl]quinoline
PubChem CID11483233
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethyl]quinoline
SMILESCOc1ccc(CCc2ccc3ccccc3n2)cc1OC
InChIInChI=1S/C19H19NO2/c1-21-18-12-8-14(13-19(18)22-2)7-10-16-11-9-15-5-3-4-6-17(15)20-16/h3-6,8-9,11-13H,7,10H2,1-2H3
InChIKeyOXJATSFPAYFXMW-UHFFFAOYSA-N
XLogP4.04
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]quinoline?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]quinoline (CID 11483233) is 2-[2-(3,4-dimethoxyphenyl)ethyl]quinoline.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethyl]quinoline?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethyl]quinoline is COc1ccc(CCc2ccc3ccccc3n2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethyl]quinoline?
The InChIKey is OXJATSFPAYFXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-21-18-12-8-14(13-19(18)22-2)7-10-16-11-9-15-5-3-4-6-17(15)20-16/h3-6,8-9,11-13H,7,10H2,1-2H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethyl]quinoline?
2-[2-(3,4-dimethoxyphenyl)ethyl]quinoline has a molecular weight of 293.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethyl]quinoline is sourced from PubChem (CID 11483233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).