8-amino-7-methoxy-3,4-dihydro-2H-isoquinolin-1-one

C10H12N2O2 — CID 86723714

IUPAC8-amino-7-methoxy-3,4-dihydro-2H-isoquinolin-1-one
SMILESCOc1ccc2c(c1N)C(=O)NCC2
InChIInChI=1S/C10H12N2O2/c1-14-7-3-2-6-4-5-12-10(13)8(6)9(7)11/h2-3H,4-5,11H2,1H3,(H,12,13)
InChIKeyVXPXCGPVGJSNGO-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.56
Rot. Bonds1

About 8-amino-7-methoxy-3,4-dihydro-2H-isoquinolin-1-one

8-amino-7-methoxy-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 86723714) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 8-amino-7-methoxy-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name8-amino-7-methoxy-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID86723714
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name8-amino-7-methoxy-3,4-dihydro-2H-isoquinolin-1-one
SMILESCOc1ccc2c(c1N)C(=O)NCC2
InChIInChI=1S/C10H12N2O2/c1-14-7-3-2-6-4-5-12-10(13)8(6)9(7)11/h2-3H,4-5,11H2,1H3,(H,12,13)
InChIKeyVXPXCGPVGJSNGO-UHFFFAOYSA-N
XLogP0.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 8-amino-7-methoxy-3,4-dihydro-2H-isoquinolin-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

Frequently Asked Questions

What is the IUPAC name of 8-amino-7-methoxy-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 8-amino-7-methoxy-3,4-dihydro-2H-isoquinolin-1-one (CID 86723714) is 8-amino-7-methoxy-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 8-amino-7-methoxy-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 8-amino-7-methoxy-3,4-dihydro-2H-isoquinolin-1-one is COc1ccc2c(c1N)C(=O)NCC2.
What is the InChIKey of 8-amino-7-methoxy-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is VXPXCGPVGJSNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-14-7-3-2-6-4-5-12-10(13)8(6)9(7)11/h2-3H,4-5,11H2,1H3,(H,12,13).
What are the key properties of 8-amino-7-methoxy-3,4-dihydro-2H-isoquinolin-1-one?
8-amino-7-methoxy-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 192.22 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-methoxy-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 86723714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).