6-chloro-1-ethoxy-2H-isoquinolin-3-one

C11H10ClNO2 — CID 138974970

IUPAC6-chloro-1-ethoxy-2H-isoquinolin-3-one
SMILESCCOc1[nH]c(=O)cc2cc(Cl)ccc12
InChIInChI=1S/C11H10ClNO2/c1-2-15-11-9-4-3-8(12)5-7(9)6-10(14)13-11/h3-6H,2H2,1H3,(H,13,14)
InChIKeyIVAUGPZUXIQJDI-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.58
Rot. Bonds2

About 6-chloro-1-ethoxy-2H-isoquinolin-3-one

6-chloro-1-ethoxy-2H-isoquinolin-3-one (PubChem CID 138974970) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 6-chloro-1-ethoxy-2H-isoquinolin-3-one.

Molecular Properties

Compound Name6-chloro-1-ethoxy-2H-isoquinolin-3-one
PubChem CID138974970
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name6-chloro-1-ethoxy-2H-isoquinolin-3-one
SMILESCCOc1[nH]c(=O)cc2cc(Cl)ccc12
InChIInChI=1S/C11H10ClNO2/c1-2-15-11-9-4-3-8(12)5-7(9)6-10(14)13-11/h3-6H,2H2,1H3,(H,13,14)
InChIKeyIVAUGPZUXIQJDI-UHFFFAOYSA-N
XLogP2.58
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-1-ethoxy-2H-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-ethoxy-8-fluoro-2H-isoquinolin-3-one
CID 138974315
1-ethoxy-7-fluoro-2H-isoquinolin-3-one
CID 138974695
1-ethoxy-6-(trifluoromethyl)-2H-isoquinolin-3-one
CID 138975128
Pyrano[2,3-b]pyridine, 3,4-dihydro-7-hydroxy-5-methyl-
CID 171384690
1-Chloro-6-methoxyisoquinolin-3(2H)-one
CID 25242078
1-methoxy-2H-isoquinolin-3-one
CID 126737660
1-chloro-7-methyl-2H-isoquinolin-3-one
CID 134912708
1-chloro-6-methyl-2H-isoquinolin-3-one
CID 134913150
1-chloro-7-methoxy-2H-isoquinolin-3-one
CID 134989799
6-bromo-1-ethoxy-2H-isoquinolin-3-one
CID 138974387
5-but-3-enyl-6-methoxy-1H-pyridin-2-one
CID 164674208
1-ethoxy-2H-isoquinolin-3-one
CID 168330143

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethoxy-2H-isoquinolin-3-one?
The IUPAC name of 6-chloro-1-ethoxy-2H-isoquinolin-3-one (CID 138974970) is 6-chloro-1-ethoxy-2H-isoquinolin-3-one.
What is the SMILES notation for 6-chloro-1-ethoxy-2H-isoquinolin-3-one?
The canonical SMILES for 6-chloro-1-ethoxy-2H-isoquinolin-3-one is CCOc1[nH]c(=O)cc2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-1-ethoxy-2H-isoquinolin-3-one?
The InChIKey is IVAUGPZUXIQJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-2-15-11-9-4-3-8(12)5-7(9)6-10(14)13-11/h3-6H,2H2,1H3,(H,13,14).
What are the key properties of 6-chloro-1-ethoxy-2H-isoquinolin-3-one?
6-chloro-1-ethoxy-2H-isoquinolin-3-one has a molecular weight of 223.66 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethoxy-2H-isoquinolin-3-one is sourced from PubChem (CID 138974970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).