cyclohexylmethyl N-isoquinolin-7-ylcarbamate

C17H20N2O2 — CID 69259341

IUPACcyclohexylmethyl N-isoquinolin-7-ylcarbamate
SMILESO=C(Nc1ccc2ccncc2c1)OCC1CCCCC1
InChIInChI=1S/C17H20N2O2/c20-17(21-12-13-4-2-1-3-5-13)19-16-7-6-14-8-9-18-11-15(14)10-16/h6-11,13H,1-5,12H2,(H,19,20)
InChIKeyCRYWZKQLUJBLDF-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.36
Rot. Bonds3

About cyclohexylmethyl N-isoquinolin-7-ylcarbamate

cyclohexylmethyl N-isoquinolin-7-ylcarbamate (PubChem CID 69259341) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is cyclohexylmethyl N-isoquinolin-7-ylcarbamate.

Molecular Properties

Compound Namecyclohexylmethyl N-isoquinolin-7-ylcarbamate
PubChem CID69259341
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namecyclohexylmethyl N-isoquinolin-7-ylcarbamate
SMILESO=C(Nc1ccc2ccncc2c1)OCC1CCCCC1
InChIInChI=1S/C17H20N2O2/c20-17(21-12-13-4-2-1-3-5-13)19-16-7-6-14-8-9-18-11-15(14)10-16/h6-11,13H,1-5,12H2,(H,19,20)
InChIKeyCRYWZKQLUJBLDF-UHFFFAOYSA-N
XLogP4.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclohexylmethyl 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 cyclohexylmethyl N-isoquinolin-7-ylcarbamate?
The IUPAC name of cyclohexylmethyl N-isoquinolin-7-ylcarbamate (CID 69259341) is cyclohexylmethyl N-isoquinolin-7-ylcarbamate.
What is the SMILES notation for cyclohexylmethyl N-isoquinolin-7-ylcarbamate?
The canonical SMILES for cyclohexylmethyl N-isoquinolin-7-ylcarbamate is O=C(Nc1ccc2ccncc2c1)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl N-isoquinolin-7-ylcarbamate?
The InChIKey is CRYWZKQLUJBLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-17(21-12-13-4-2-1-3-5-13)19-16-7-6-14-8-9-18-11-15(14)10-16/h6-11,13H,1-5,12H2,(H,19,20).
What are the key properties of cyclohexylmethyl N-isoquinolin-7-ylcarbamate?
cyclohexylmethyl N-isoquinolin-7-ylcarbamate has a molecular weight of 284.36 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-isoquinolin-7-ylcarbamate is sourced from PubChem (CID 69259341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).