1-ethyl-6,7-dimethoxy-2H-isoquinolin-3-one

C13H15NO3 — CID 2818501

IUPAC1-ethyl-6,7-dimethoxy-2H-isoquinolin-3-one
SMILESCCc1[nH]c(=O)cc2cc(OC)c(OC)cc12
InChIInChI=1S/C13H15NO3/c1-4-10-9-7-12(17-3)11(16-2)5-8(9)6-13(15)14-10/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyDCVWACZNVRBNJN-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.11
Rot. Bonds3

About 1-ethyl-6,7-dimethoxy-2H-isoquinolin-3-one

1-ethyl-6,7-dimethoxy-2H-isoquinolin-3-one (PubChem CID 2818501) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-ethyl-6,7-dimethoxy-2H-isoquinolin-3-one.

Molecular Properties

Compound Name1-ethyl-6,7-dimethoxy-2H-isoquinolin-3-one
PubChem CID2818501
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-ethyl-6,7-dimethoxy-2H-isoquinolin-3-one
SMILESCCc1[nH]c(=O)cc2cc(OC)c(OC)cc12
InChIInChI=1S/C13H15NO3/c1-4-10-9-7-12(17-3)11(16-2)5-8(9)6-13(15)14-10/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyDCVWACZNVRBNJN-UHFFFAOYSA-N
XLogP2.11
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-6,7-dimethoxy-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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,7-dimethoxy-2H-isoquinolin-3-one?
The IUPAC name of 1-ethyl-6,7-dimethoxy-2H-isoquinolin-3-one (CID 2818501) is 1-ethyl-6,7-dimethoxy-2H-isoquinolin-3-one.
What is the SMILES notation for 1-ethyl-6,7-dimethoxy-2H-isoquinolin-3-one?
The canonical SMILES for 1-ethyl-6,7-dimethoxy-2H-isoquinolin-3-one is CCc1[nH]c(=O)cc2cc(OC)c(OC)cc12.
What is the InChIKey of 1-ethyl-6,7-dimethoxy-2H-isoquinolin-3-one?
The InChIKey is DCVWACZNVRBNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-4-10-9-7-12(17-3)11(16-2)5-8(9)6-13(15)14-10/h5-7H,4H2,1-3H3,(H,14,15).
What are the key properties of 1-ethyl-6,7-dimethoxy-2H-isoquinolin-3-one?
1-ethyl-6,7-dimethoxy-2H-isoquinolin-3-one has a molecular weight of 233.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,7-dimethoxy-2H-isoquinolin-3-one is sourced from PubChem (CID 2818501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).