7-[2-(methylamino)ethoxy]-3,4-dihydro-2H-isoquinolin-1-one

C12H16N2O2 — CID 83853150

IUPAC7-[2-(methylamino)ethoxy]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCNCCOc1ccc2c(c1)C(=O)NCC2
InChIInChI=1S/C12H16N2O2/c1-13-6-7-16-10-3-2-9-4-5-14-12(15)11(9)8-10/h2-3,8,13H,4-7H2,1H3,(H,14,15)
InChIKeyADWCYISHDUEAIA-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.57
Rot. Bonds4

About 7-[2-(methylamino)ethoxy]-3,4-dihydro-2H-isoquinolin-1-one

7-[2-(methylamino)ethoxy]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 83853150) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 7-[2-(methylamino)ethoxy]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-[2-(methylamino)ethoxy]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID83853150
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name7-[2-(methylamino)ethoxy]-3,4-dihydro-2H-isoquinolin-1-one
SMILESCNCCOc1ccc2c(c1)C(=O)NCC2
InChIInChI=1S/C12H16N2O2/c1-13-6-7-16-10-3-2-9-4-5-14-12(15)11(9)8-10/h2-3,8,13H,4-7H2,1H3,(H,14,15)
InChIKeyADWCYISHDUEAIA-UHFFFAOYSA-N
XLogP0.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[2-(methylamino)ethoxy]-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

Related Compounds

7-butoxy-3,4-dihydro-2H-isoquinolin-1-one
CID 145310441
7-(3-aminopropoxy)-3,4-dihydro-2H-isoquinolin-1-one
CID 83853149
7-[2-(methylamino)ethoxy]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 83853247
7-prop-2-ynoxy-3,4-dihydro-2H-isoquinolin-1-one
CID 71428183
1-(4-butoxyphenyl)-3-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)urea
CID 90524964
7-methoxy-3,4-dihydro-2H-isoquinolin-1-one;methyl N-[2-(4-methoxyphenyl)ethyl]carbamate
CID 158702967
7-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3,4-dihydro-2H-isoquinolin-1-one
CID 142613307
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
7-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-3,4-dihydro-2H-isoquinolin-1-one;2,2,2-trifluoroacetic acid
CID 146417817
2-(4-ethoxyphenyl)-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide
CID 90524772
N-methyl-3-[[6-[3-(methylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine
CID 57439214
7-bromo-3,4-dihydro-2H-isoquinolin-1-one
CID 25067330

Frequently Asked Questions

What is the IUPAC name of 7-[2-(methylamino)ethoxy]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 7-[2-(methylamino)ethoxy]-3,4-dihydro-2H-isoquinolin-1-one (CID 83853150) is 7-[2-(methylamino)ethoxy]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 7-[2-(methylamino)ethoxy]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 7-[2-(methylamino)ethoxy]-3,4-dihydro-2H-isoquinolin-1-one is CNCCOc1ccc2c(c1)C(=O)NCC2.
What is the InChIKey of 7-[2-(methylamino)ethoxy]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is ADWCYISHDUEAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-13-6-7-16-10-3-2-9-4-5-14-12(15)11(9)8-10/h2-3,8,13H,4-7H2,1H3,(H,14,15).
What are the key properties of 7-[2-(methylamino)ethoxy]-3,4-dihydro-2H-isoquinolin-1-one?
7-[2-(methylamino)ethoxy]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 220.27 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(methylamino)ethoxy]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 83853150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).