2-(5-aminoisoquinolin-8-yl)oxyethanol

C11H12N2O2 — CID 103139769

IUPAC2-(5-aminoisoquinolin-8-yl)oxyethanol
SMILESNc1ccc(OCCO)c2cnccc12
InChIInChI=1S/C11H12N2O2/c12-10-1-2-11(15-6-5-14)9-7-13-4-3-8(9)10/h1-4,7,14H,5-6,12H2
InChIKeyVJEWRDCJHGTFHU-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.19
Rot. Bonds3

About 2-(5-aminoisoquinolin-8-yl)oxyethanol

2-(5-aminoisoquinolin-8-yl)oxyethanol (PubChem CID 103139769) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(5-aminoisoquinolin-8-yl)oxyethanol.

Molecular Properties

Compound Name2-(5-aminoisoquinolin-8-yl)oxyethanol
PubChem CID103139769
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(5-aminoisoquinolin-8-yl)oxyethanol
SMILESNc1ccc(OCCO)c2cnccc12
InChIInChI=1S/C11H12N2O2/c12-10-1-2-11(15-6-5-14)9-7-13-4-3-8(9)10/h1-4,7,14H,5-6,12H2
InChIKeyVJEWRDCJHGTFHU-UHFFFAOYSA-N
XLogP1.19
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(5-aminoisoquinolin-8-yl)oxyethanol 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 2-(5-aminoisoquinolin-8-yl)oxyethanol?
The IUPAC name of 2-(5-aminoisoquinolin-8-yl)oxyethanol (CID 103139769) is 2-(5-aminoisoquinolin-8-yl)oxyethanol.
What is the SMILES notation for 2-(5-aminoisoquinolin-8-yl)oxyethanol?
The canonical SMILES for 2-(5-aminoisoquinolin-8-yl)oxyethanol is Nc1ccc(OCCO)c2cnccc12.
What is the InChIKey of 2-(5-aminoisoquinolin-8-yl)oxyethanol?
The InChIKey is VJEWRDCJHGTFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-10-1-2-11(15-6-5-14)9-7-13-4-3-8(9)10/h1-4,7,14H,5-6,12H2.
What are the key properties of 2-(5-aminoisoquinolin-8-yl)oxyethanol?
2-(5-aminoisoquinolin-8-yl)oxyethanol has a molecular weight of 204.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminoisoquinolin-8-yl)oxyethanol is sourced from PubChem (CID 103139769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).