4-[2-(8-methoxyquinolin-4-yl)ethyl]cyclohexan-1-one

C18H21NO2 — CID 68747183

IUPAC4-[2-(8-methoxyquinolin-4-yl)ethyl]cyclohexan-1-one
SMILESCOc1cccc2c(CCC3CCC(=O)CC3)ccnc12
InChIInChI=1S/C18H21NO2/c1-21-17-4-2-3-16-14(11-12-19-18(16)17)8-5-13-6-9-15(20)10-7-13/h2-4,11-13H,5-10H2,1H3
InChIKeyJEWNKPFZXUIUPB-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.94
Rot. Bonds4

About 4-[2-(8-methoxyquinolin-4-yl)ethyl]cyclohexan-1-one

4-[2-(8-methoxyquinolin-4-yl)ethyl]cyclohexan-1-one (PubChem CID 68747183) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[2-(8-methoxyquinolin-4-yl)ethyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2-(8-methoxyquinolin-4-yl)ethyl]cyclohexan-1-one
PubChem CID68747183
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-[2-(8-methoxyquinolin-4-yl)ethyl]cyclohexan-1-one
SMILESCOc1cccc2c(CCC3CCC(=O)CC3)ccnc12
InChIInChI=1S/C18H21NO2/c1-21-17-4-2-3-16-14(11-12-19-18(16)17)8-5-13-6-9-15(20)10-7-13/h2-4,11-13H,5-10H2,1H3
InChIKeyJEWNKPFZXUIUPB-UHFFFAOYSA-N
XLogP3.94
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(8-methoxyquinolin-4-yl)ethyl]cyclohexan-1-one 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 4-[2-(8-methoxyquinolin-4-yl)ethyl]cyclohexan-1-one?
The IUPAC name of 4-[2-(8-methoxyquinolin-4-yl)ethyl]cyclohexan-1-one (CID 68747183) is 4-[2-(8-methoxyquinolin-4-yl)ethyl]cyclohexan-1-one.
What is the SMILES notation for 4-[2-(8-methoxyquinolin-4-yl)ethyl]cyclohexan-1-one?
The canonical SMILES for 4-[2-(8-methoxyquinolin-4-yl)ethyl]cyclohexan-1-one is COc1cccc2c(CCC3CCC(=O)CC3)ccnc12.
What is the InChIKey of 4-[2-(8-methoxyquinolin-4-yl)ethyl]cyclohexan-1-one?
The InChIKey is JEWNKPFZXUIUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-21-17-4-2-3-16-14(11-12-19-18(16)17)8-5-13-6-9-15(20)10-7-13/h2-4,11-13H,5-10H2,1H3.
What are the key properties of 4-[2-(8-methoxyquinolin-4-yl)ethyl]cyclohexan-1-one?
4-[2-(8-methoxyquinolin-4-yl)ethyl]cyclohexan-1-one has a molecular weight of 283.37 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(8-methoxyquinolin-4-yl)ethyl]cyclohexan-1-one is sourced from PubChem (CID 68747183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).