7-bromo-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one

C11H11BrN2O2 — CID 90727190

IUPAC7-bromo-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one
SMILESCNc1cc2cc(=O)n(C)c(O)c2cc1Br
InChIInChI=1S/C11H11BrN2O2/c1-13-9-3-6-4-10(15)14(2)11(16)7(6)5-8(9)12/h3-5,13,16H,1-2H3
InChIKeyKTOXRSKAZSGNIY-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.05
Rot. Bonds1

About 7-bromo-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one

7-bromo-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one (PubChem CID 90727190) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 7-bromo-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one.

Molecular Properties

Compound Name7-bromo-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one
PubChem CID90727190
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name7-bromo-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one
SMILESCNc1cc2cc(=O)n(C)c(O)c2cc1Br
InChIInChI=1S/C11H11BrN2O2/c1-13-9-3-6-4-10(15)14(2)11(16)7(6)5-8(9)12/h3-5,13,16H,1-2H3
InChIKeyKTOXRSKAZSGNIY-UHFFFAOYSA-N
XLogP2.05
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-bromo-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-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-Hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one
CID 90746456
7-Bromo-6-[2-(dimethylamino)ethylamino]-1-hydroxy-2-methylisoquinolin-3-one
CID 91113481
6-(Dimethylamino)-1-hydroxy-2-methylisoquinolin-3-one
CID 91123031
1-Hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one
CID 91259601
7-Bromo-1-hydroxy-2-methylisoquinolin-3-one
CID 91285410
7-Chloro-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one
CID 91285978
7-Bromo-1-hydroxy-2-methyl-6-(propylamino)isoquinolin-3-one
CID 91370309
6-(Ethylamino)-1-hydroxy-2-methylisoquinolin-3-one
CID 91520534

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one?
The IUPAC name of 7-bromo-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one (CID 90727190) is 7-bromo-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one.
What is the SMILES notation for 7-bromo-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one?
The canonical SMILES for 7-bromo-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one is CNc1cc2cc(=O)n(C)c(O)c2cc1Br.
What is the InChIKey of 7-bromo-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one?
The InChIKey is KTOXRSKAZSGNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-13-9-3-6-4-10(15)14(2)11(16)7(6)5-8(9)12/h3-5,13,16H,1-2H3.
What are the key properties of 7-bromo-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one?
7-bromo-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one has a molecular weight of 283.12 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-hydroxy-2-methyl-6-(methylamino)isoquinolin-3-one is sourced from PubChem (CID 90727190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).