3-(cyclohexen-1-yl)-2,6-dimethylquinoline

C17H19N — CID 127051653

IUPAC3-(cyclohexen-1-yl)-2,6-dimethylquinoline
SMILESCc1ccc2nc(C)c(C3=CCCCC3)cc2c1
InChIInChI=1S/C17H19N/c1-12-8-9-17-15(10-12)11-16(13(2)18-17)14-6-4-3-5-7-14/h6,8-11H,3-5,7H2,1-2H3
InChIKeyURQMDTGPASQGOW-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.81
Rot. Bonds1

About 3-(cyclohexen-1-yl)-2,6-dimethylquinoline

3-(cyclohexen-1-yl)-2,6-dimethylquinoline (PubChem CID 127051653) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-2,6-dimethylquinoline.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-2,6-dimethylquinoline
PubChem CID127051653
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name3-(cyclohexen-1-yl)-2,6-dimethylquinoline
SMILESCc1ccc2nc(C)c(C3=CCCCC3)cc2c1
InChIInChI=1S/C17H19N/c1-12-8-9-17-15(10-12)11-16(13(2)18-17)14-6-4-3-5-7-14/h6,8-11H,3-5,7H2,1-2H3
InChIKeyURQMDTGPASQGOW-UHFFFAOYSA-N
XLogP4.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-2,6-dimethylquinoline?
The IUPAC name of 3-(cyclohexen-1-yl)-2,6-dimethylquinoline (CID 127051653) is 3-(cyclohexen-1-yl)-2,6-dimethylquinoline.
What is the SMILES notation for 3-(cyclohexen-1-yl)-2,6-dimethylquinoline?
The canonical SMILES for 3-(cyclohexen-1-yl)-2,6-dimethylquinoline is Cc1ccc2nc(C)c(C3=CCCCC3)cc2c1.
What is the InChIKey of 3-(cyclohexen-1-yl)-2,6-dimethylquinoline?
The InChIKey is URQMDTGPASQGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-12-8-9-17-15(10-12)11-16(13(2)18-17)14-6-4-3-5-7-14/h6,8-11H,3-5,7H2,1-2H3.
What are the key properties of 3-(cyclohexen-1-yl)-2,6-dimethylquinoline?
3-(cyclohexen-1-yl)-2,6-dimethylquinoline has a molecular weight of 237.35 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-2,6-dimethylquinoline is sourced from PubChem (CID 127051653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).