2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline

C18H15NO2 — CID 10084876

IUPAC2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline
SMILESc1ccc2nc(CCc3ccc4c(c3)OCO4)ccc2c1
InChIInChI=1S/C18H15NO2/c1-2-4-16-14(3-1)7-9-15(19-16)8-5-13-6-10-17-18(11-13)21-12-20-17/h1-4,6-7,9-11H,5,8,12H2
InChIKeyZDRLPWFUZOCXJT-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.75
Rot. Bonds3

About 2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline

2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline (PubChem CID 10084876) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline
PubChem CID10084876
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline
SMILESc1ccc2nc(CCc3ccc4c(c3)OCO4)ccc2c1
InChIInChI=1S/C18H15NO2/c1-2-4-16-14(3-1)7-9-15(19-16)8-5-13-6-10-17-18(11-13)21-12-20-17/h1-4,6-7,9-11H,5,8,12H2
InChIKeyZDRLPWFUZOCXJT-UHFFFAOYSA-N
XLogP3.75
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline?
The IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline (CID 10084876) is 2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline?
The canonical SMILES for 2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline is c1ccc2nc(CCc3ccc4c(c3)OCO4)ccc2c1.
What is the InChIKey of 2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline?
The InChIKey is ZDRLPWFUZOCXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-2-4-16-14(3-1)7-9-15(19-16)8-5-13-6-10-17-18(11-13)21-12-20-17/h1-4,6-7,9-11H,5,8,12H2.
What are the key properties of 2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline?
2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline has a molecular weight of 277.32 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzodioxol-5-yl)ethyl]quinoline is sourced from PubChem (CID 10084876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).