7-bromo-2-(2-hydroxyethyl)isoquinolin-1-one

C11H10BrNO2 — CID 59238202

IUPAC7-bromo-2-(2-hydroxyethyl)isoquinolin-1-one
SMILESO=c1c2cc(Br)ccc2ccn1CCO
InChIInChI=1S/C11H10BrNO2/c12-9-2-1-8-3-4-13(5-6-14)11(15)10(8)7-9/h1-4,7,14H,5-6H2
InChIKeyJHGIZPRODUVUOM-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.76
Rot. Bonds2

About 7-bromo-2-(2-hydroxyethyl)isoquinolin-1-one

7-bromo-2-(2-hydroxyethyl)isoquinolin-1-one (PubChem CID 59238202) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 7-bromo-2-(2-hydroxyethyl)isoquinolin-1-one.

Molecular Properties

Compound Name7-bromo-2-(2-hydroxyethyl)isoquinolin-1-one
PubChem CID59238202
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name7-bromo-2-(2-hydroxyethyl)isoquinolin-1-one
SMILESO=c1c2cc(Br)ccc2ccn1CCO
InChIInChI=1S/C11H10BrNO2/c12-9-2-1-8-3-4-13(5-6-14)11(15)10(8)7-9/h1-4,7,14H,5-6H2
InChIKeyJHGIZPRODUVUOM-UHFFFAOYSA-N
XLogP1.76
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-bromo-2-(2-hydroxyethyl)isoquinolin-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 7-bromo-2-(2-hydroxyethyl)isoquinolin-1-one?
The IUPAC name of 7-bromo-2-(2-hydroxyethyl)isoquinolin-1-one (CID 59238202) is 7-bromo-2-(2-hydroxyethyl)isoquinolin-1-one.
What is the SMILES notation for 7-bromo-2-(2-hydroxyethyl)isoquinolin-1-one?
The canonical SMILES for 7-bromo-2-(2-hydroxyethyl)isoquinolin-1-one is O=c1c2cc(Br)ccc2ccn1CCO.
What is the InChIKey of 7-bromo-2-(2-hydroxyethyl)isoquinolin-1-one?
The InChIKey is JHGIZPRODUVUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c12-9-2-1-8-3-4-13(5-6-14)11(15)10(8)7-9/h1-4,7,14H,5-6H2.
What are the key properties of 7-bromo-2-(2-hydroxyethyl)isoquinolin-1-one?
7-bromo-2-(2-hydroxyethyl)isoquinolin-1-one has a molecular weight of 268.11 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-hydroxyethyl)isoquinolin-1-one is sourced from PubChem (CID 59238202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).