cyclohexyl N-isoquinolin-7-ylcarbamate

C16H18N2O2 — CID 69258294

IUPACcyclohexyl N-isoquinolin-7-ylcarbamate
SMILESO=C(Nc1ccc2ccncc2c1)OC1CCCCC1
InChIInChI=1S/C16H18N2O2/c19-16(20-15-4-2-1-3-5-15)18-14-7-6-12-8-9-17-11-13(12)10-14/h6-11,15H,1-5H2,(H,18,19)
InChIKeyOSLFPIRKUSSFOB-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.12
Rot. Bonds2

About cyclohexyl N-isoquinolin-7-ylcarbamate

cyclohexyl N-isoquinolin-7-ylcarbamate (PubChem CID 69258294) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is cyclohexyl N-isoquinolin-7-ylcarbamate.

Molecular Properties

Compound Namecyclohexyl N-isoquinolin-7-ylcarbamate
PubChem CID69258294
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namecyclohexyl N-isoquinolin-7-ylcarbamate
SMILESO=C(Nc1ccc2ccncc2c1)OC1CCCCC1
InChIInChI=1S/C16H18N2O2/c19-16(20-15-4-2-1-3-5-15)18-14-7-6-12-8-9-17-11-13(12)10-14/h6-11,15H,1-5H2,(H,18,19)
InChIKeyOSLFPIRKUSSFOB-UHFFFAOYSA-N
XLogP4.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclohexyl N-isoquinolin-7-ylcarbamate 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 cyclohexyl N-isoquinolin-7-ylcarbamate?
The IUPAC name of cyclohexyl N-isoquinolin-7-ylcarbamate (CID 69258294) is cyclohexyl N-isoquinolin-7-ylcarbamate.
What is the SMILES notation for cyclohexyl N-isoquinolin-7-ylcarbamate?
The canonical SMILES for cyclohexyl N-isoquinolin-7-ylcarbamate is O=C(Nc1ccc2ccncc2c1)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-isoquinolin-7-ylcarbamate?
The InChIKey is OSLFPIRKUSSFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(20-15-4-2-1-3-5-15)18-14-7-6-12-8-9-17-11-13(12)10-14/h6-11,15H,1-5H2,(H,18,19).
What are the key properties of cyclohexyl N-isoquinolin-7-ylcarbamate?
cyclohexyl N-isoquinolin-7-ylcarbamate has a molecular weight of 270.33 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-isoquinolin-7-ylcarbamate is sourced from PubChem (CID 69258294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).