3-(4-ethylcyclohexyl)quinoline

C17H21N — CID 145078390

IUPAC3-(4-ethylcyclohexyl)quinoline
SMILESCCC1CCC(c2cnc3ccccc3c2)CC1
InChIInChI=1S/C17H21N/c1-2-13-7-9-14(10-8-13)16-11-15-5-3-4-6-17(15)18-12-16/h3-6,11-14H,2,7-10H2,1H3
InChIKeyMDBQSEVNIYIKHL-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.92
Rot. Bonds2

About 3-(4-ethylcyclohexyl)quinoline

3-(4-ethylcyclohexyl)quinoline (PubChem CID 145078390) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-(4-ethylcyclohexyl)quinoline.

Molecular Properties

Compound Name3-(4-ethylcyclohexyl)quinoline
PubChem CID145078390
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name3-(4-ethylcyclohexyl)quinoline
SMILESCCC1CCC(c2cnc3ccccc3c2)CC1
InChIInChI=1S/C17H21N/c1-2-13-7-9-14(10-8-13)16-11-15-5-3-4-6-17(15)18-12-16/h3-6,11-14H,2,7-10H2,1H3
InChIKeyMDBQSEVNIYIKHL-UHFFFAOYSA-N
XLogP4.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylcyclohexyl)quinoline?
The IUPAC name of 3-(4-ethylcyclohexyl)quinoline (CID 145078390) is 3-(4-ethylcyclohexyl)quinoline.
What is the SMILES notation for 3-(4-ethylcyclohexyl)quinoline?
The canonical SMILES for 3-(4-ethylcyclohexyl)quinoline is CCC1CCC(c2cnc3ccccc3c2)CC1.
What is the InChIKey of 3-(4-ethylcyclohexyl)quinoline?
The InChIKey is MDBQSEVNIYIKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-2-13-7-9-14(10-8-13)16-11-15-5-3-4-6-17(15)18-12-16/h3-6,11-14H,2,7-10H2,1H3.
What are the key properties of 3-(4-ethylcyclohexyl)quinoline?
3-(4-ethylcyclohexyl)quinoline has a molecular weight of 239.36 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylcyclohexyl)quinoline is sourced from PubChem (CID 145078390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).