3,6-diethylquinoline

C13H15N — CID 82111628

IUPAC3,6-diethylquinoline
SMILESCCc1ccc2ncc(CC)cc2c1
InChIInChI=1S/C13H15N/c1-3-10-5-6-13-12(7-10)8-11(4-2)9-14-13/h5-9H,3-4H2,1-2H3
InChIKeyRUWIXCOKHQPYBA-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.36
Rot. Bonds2

About 3,6-diethylquinoline

3,6-diethylquinoline (PubChem CID 82111628) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 3,6-diethylquinoline.

Molecular Properties

Compound Name3,6-diethylquinoline
PubChem CID82111628
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name3,6-diethylquinoline
SMILESCCc1ccc2ncc(CC)cc2c1
InChIInChI=1S/C13H15N/c1-3-10-5-6-13-12(7-10)8-11(4-2)9-14-13/h5-9H,3-4H2,1-2H3
InChIKeyRUWIXCOKHQPYBA-UHFFFAOYSA-N
XLogP3.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethylquinoline?
The IUPAC name of 3,6-diethylquinoline (CID 82111628) is 3,6-diethylquinoline.
What is the SMILES notation for 3,6-diethylquinoline?
The canonical SMILES for 3,6-diethylquinoline is CCc1ccc2ncc(CC)cc2c1.
What is the InChIKey of 3,6-diethylquinoline?
The InChIKey is RUWIXCOKHQPYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-3-10-5-6-13-12(7-10)8-11(4-2)9-14-13/h5-9H,3-4H2,1-2H3.
What are the key properties of 3,6-diethylquinoline?
3,6-diethylquinoline has a molecular weight of 185.27 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethylquinoline is sourced from PubChem (CID 82111628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).