1-chloro-7-methoxy-2H-isoquinolin-3-one

C10H8ClNO2 — CID 134989799

IUPAC1-chloro-7-methoxy-2H-isoquinolin-3-one
SMILESCOc1ccc2cc(=O)[nH]c(Cl)c2c1
InChIInChI=1S/C10H8ClNO2/c1-14-7-3-2-6-4-9(13)12-10(11)8(6)5-7/h2-5H,1H3,(H,12,13)
InChIKeyMXIPSNXXUSDYKR-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.19
Rot. Bonds1

About 1-chloro-7-methoxy-2H-isoquinolin-3-one

1-chloro-7-methoxy-2H-isoquinolin-3-one (PubChem CID 134989799) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 1-chloro-7-methoxy-2H-isoquinolin-3-one.

Molecular Properties

Compound Name1-chloro-7-methoxy-2H-isoquinolin-3-one
PubChem CID134989799
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name1-chloro-7-methoxy-2H-isoquinolin-3-one
SMILESCOc1ccc2cc(=O)[nH]c(Cl)c2c1
InChIInChI=1S/C10H8ClNO2/c1-14-7-3-2-6-4-9(13)12-10(11)8(6)5-7/h2-5H,1H3,(H,12,13)
InChIKeyMXIPSNXXUSDYKR-UHFFFAOYSA-N
XLogP2.19
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-chloro-7-methoxy-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

3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl-
CID 613013
6-Methoxy-1-methylisoquinolin-3(2H)-one
CID 6624932
4-chloro-6,7-dimethoxy-1-methyl-2H-isoquinolin-3-one
CID 14067774
3(2H)-Isoquinolinone, 7,8-dimethoxy-1-methyl-
CID 14067797
6,8-dimethoxy-1-methyl-2H-isoquinolin-3-one
CID 14067800
5,6-dimethoxy-1-methyl-2H-isoquinolin-3-one
CID 14067802
7-Methoxy-1-methyl-3(2h)-isoquinolinone
CID 14067804
1-Chloro-6-methoxyisoquinolin-3(2H)-one
CID 25242078
7-Methoxyisoquinolin-3(2H)-one
CID 67521004
1-methoxy-2H-isoquinolin-3-one
CID 126737660
1-fluoro-6-methoxy-2H-isoquinolin-3-one
CID 68249567
1-Chloro-7-fluoro-6-methoxyisoquinolin-3-ol
CID 90100549

Frequently Asked Questions

What is the IUPAC name of 1-chloro-7-methoxy-2H-isoquinolin-3-one?
The IUPAC name of 1-chloro-7-methoxy-2H-isoquinolin-3-one (CID 134989799) is 1-chloro-7-methoxy-2H-isoquinolin-3-one.
What is the SMILES notation for 1-chloro-7-methoxy-2H-isoquinolin-3-one?
The canonical SMILES for 1-chloro-7-methoxy-2H-isoquinolin-3-one is COc1ccc2cc(=O)[nH]c(Cl)c2c1.
What is the InChIKey of 1-chloro-7-methoxy-2H-isoquinolin-3-one?
The InChIKey is MXIPSNXXUSDYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-14-7-3-2-6-4-9(13)12-10(11)8(6)5-7/h2-5H,1H3,(H,12,13).
What are the key properties of 1-chloro-7-methoxy-2H-isoquinolin-3-one?
1-chloro-7-methoxy-2H-isoquinolin-3-one has a molecular weight of 209.63 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7-methoxy-2H-isoquinolin-3-one is sourced from PubChem (CID 134989799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).