8-bromo-2-ethyl-7-hydroxyisoquinolin-1-one

C11H10BrNO2 — CID 82379584

IUPAC8-bromo-2-ethyl-7-hydroxyisoquinolin-1-one
SMILESCCn1ccc2ccc(O)c(Br)c2c1=O
InChIInChI=1S/C11H10BrNO2/c1-2-13-6-5-7-3-4-8(14)10(12)9(7)11(13)15/h3-6,14H,2H2,1H3
InChIKeyCGTOITCUDPIKRE-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.49
Rot. Bonds1

About 8-bromo-2-ethyl-7-hydroxyisoquinolin-1-one

8-bromo-2-ethyl-7-hydroxyisoquinolin-1-one (PubChem CID 82379584) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 8-bromo-2-ethyl-7-hydroxyisoquinolin-1-one.

Molecular Properties

Compound Name8-bromo-2-ethyl-7-hydroxyisoquinolin-1-one
PubChem CID82379584
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name8-bromo-2-ethyl-7-hydroxyisoquinolin-1-one
SMILESCCn1ccc2ccc(O)c(Br)c2c1=O
InChIInChI=1S/C11H10BrNO2/c1-2-13-6-5-7-3-4-8(14)10(12)9(7)11(13)15/h3-6,14H,2H2,1H3
InChIKeyCGTOITCUDPIKRE-UHFFFAOYSA-N
XLogP2.49
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-bromo-2-ethyl-7-hydroxyisoquinolin-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

Related Compounds

1-ethyl-N,4-dihydroxy-2-oxopyridine-3-carboxamide
CID 89384903
1-ethyl-4-hydroxy-2-oxopyridine-3-carboxylic acid
CID 118948928
3-amino-5-ethyl-1-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-4-one
CID 171437377
3-bromo-1-ethylpyrazin-2-one
CID 59085559
7-bromo-2-(2,2,2-trifluoroethyl)isoquinolin-1-one
CID 59420849
8-amino-6-(2-aminopyrimidin-5-yl)-2,7-diethylisoquinolin-1-one
CID 123586103
8-bromo-2-ethylquinolin-7-ol
CID 136927922
1-ethyl-4-methyl-3-propan-2-ylpyridin-2-one
CID 165398418
bis(1-ethyl-3-hydroxy-2-methylpyridin-4-one);oxovanadium
CID 10883182
4-bromo-1-ethyl-2-methylbenzimidazol-5-ol
CID 873413
7-bromo-2-(2-hydroxyethyl)isoquinolin-1-one
CID 59238202
1-ethyl-6H-pyrrolo[2,3-c]pyridin-7-one
CID 53164514

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-ethyl-7-hydroxyisoquinolin-1-one?
The IUPAC name of 8-bromo-2-ethyl-7-hydroxyisoquinolin-1-one (CID 82379584) is 8-bromo-2-ethyl-7-hydroxyisoquinolin-1-one.
What is the SMILES notation for 8-bromo-2-ethyl-7-hydroxyisoquinolin-1-one?
The canonical SMILES for 8-bromo-2-ethyl-7-hydroxyisoquinolin-1-one is CCn1ccc2ccc(O)c(Br)c2c1=O.
What is the InChIKey of 8-bromo-2-ethyl-7-hydroxyisoquinolin-1-one?
The InChIKey is CGTOITCUDPIKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-2-13-6-5-7-3-4-8(14)10(12)9(7)11(13)15/h3-6,14H,2H2,1H3.
What are the key properties of 8-bromo-2-ethyl-7-hydroxyisoquinolin-1-one?
8-bromo-2-ethyl-7-hydroxyisoquinolin-1-one has a molecular weight of 268.11 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-ethyl-7-hydroxyisoquinolin-1-one is sourced from PubChem (CID 82379584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).