7-chloro-N-cyclohexylisoquinolin-3-amine

C15H17ClN2 — CID 134986887

IUPAC7-chloro-N-cyclohexylisoquinolin-3-amine
SMILESClc1ccc2cc(NC3CCCCC3)ncc2c1
InChIInChI=1S/C15H17ClN2/c16-13-7-6-11-9-15(17-10-12(11)8-13)18-14-4-2-1-3-5-14/h6-10,14H,1-5H2,(H,17,18)
InChIKeyWJFBOKSZIAUQAT-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.63
Rot. Bonds2

About 7-chloro-N-cyclohexylisoquinolin-3-amine

7-chloro-N-cyclohexylisoquinolin-3-amine (PubChem CID 134986887) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 7-chloro-N-cyclohexylisoquinolin-3-amine.

Molecular Properties

Compound Name7-chloro-N-cyclohexylisoquinolin-3-amine
PubChem CID134986887
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name7-chloro-N-cyclohexylisoquinolin-3-amine
SMILESClc1ccc2cc(NC3CCCCC3)ncc2c1
InChIInChI=1S/C15H17ClN2/c16-13-7-6-11-9-15(17-10-12(11)8-13)18-14-4-2-1-3-5-14/h6-10,14H,1-5H2,(H,17,18)
InChIKeyWJFBOKSZIAUQAT-UHFFFAOYSA-N
XLogP4.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-chloro-N-cyclohexylisoquinolin-3-amine 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 7-chloro-N-cyclohexylisoquinolin-3-amine?
The IUPAC name of 7-chloro-N-cyclohexylisoquinolin-3-amine (CID 134986887) is 7-chloro-N-cyclohexylisoquinolin-3-amine.
What is the SMILES notation for 7-chloro-N-cyclohexylisoquinolin-3-amine?
The canonical SMILES for 7-chloro-N-cyclohexylisoquinolin-3-amine is Clc1ccc2cc(NC3CCCCC3)ncc2c1.
What is the InChIKey of 7-chloro-N-cyclohexylisoquinolin-3-amine?
The InChIKey is WJFBOKSZIAUQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c16-13-7-6-11-9-15(17-10-12(11)8-13)18-14-4-2-1-3-5-14/h6-10,14H,1-5H2,(H,17,18).
What are the key properties of 7-chloro-N-cyclohexylisoquinolin-3-amine?
7-chloro-N-cyclohexylisoquinolin-3-amine has a molecular weight of 260.77 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-cyclohexylisoquinolin-3-amine is sourced from PubChem (CID 134986887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).