7-amino-2-[3-(2-methoxyethoxy)propyl]-3,4-dihydroisoquinolin-1-one

C15H22N2O3 — CID 103409761

IUPAC7-amino-2-[3-(2-methoxyethoxy)propyl]-3,4-dihydroisoquinolin-1-one
SMILESCOCCOCCCN1CCc2ccc(N)cc2C1=O
InChIInChI=1S/C15H22N2O3/c1-19-9-10-20-8-2-6-17-7-5-12-3-4-13(16)11-14(12)15(17)18/h3-4,11H,2,5-10,16H2,1H3
InChIKeySGSYCCXZWRAKJA-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.32
Rot. Bonds7

About 7-amino-2-[3-(2-methoxyethoxy)propyl]-3,4-dihydroisoquinolin-1-one

7-amino-2-[3-(2-methoxyethoxy)propyl]-3,4-dihydroisoquinolin-1-one (PubChem CID 103409761) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 7-amino-2-[3-(2-methoxyethoxy)propyl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name7-amino-2-[3-(2-methoxyethoxy)propyl]-3,4-dihydroisoquinolin-1-one
PubChem CID103409761
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name7-amino-2-[3-(2-methoxyethoxy)propyl]-3,4-dihydroisoquinolin-1-one
SMILESCOCCOCCCN1CCc2ccc(N)cc2C1=O
InChIInChI=1S/C15H22N2O3/c1-19-9-10-20-8-2-6-17-7-5-12-3-4-13(16)11-14(12)15(17)18/h3-4,11H,2,5-10,16H2,1H3
InChIKeySGSYCCXZWRAKJA-UHFFFAOYSA-N
XLogP1.32
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-amino-2-[3-(2-methoxyethoxy)propyl]-3,4-dihydroisoquinolin-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

6-amino-2-[2-(3-methoxypropoxy)ethyl]-3H-isoindol-1-one
CID 103183081
1-[2-(3-methoxypropoxy)ethyl]-2,3-dihydroindol-6-amine
CID 103180351
7-amino-2-(2-propylsulfonylethyl)-3,4-dihydroisoquinolin-1-one
CID 106724731
4-(7-amino-1-oxo-3,4-dihydroisoquinolin-2-yl)-2,2-dimethylbutanenitrile
CID 65253226
7-amino-2-[2-(oxolan-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 65161418
1-[1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindol-5-yl]ethanamine
CID 103408871
5-amino-2-(2-methoxyethyl)-3H-isoindol-1-one
CID 91664637
7-amino-2-[(3,5-difluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 105403399
6-amino-2-[2-(4-methylpiperazin-1-yl)ethyl]-3H-isoindol-1-one
CID 82891912
5-amino-1-[3-[3-(2-methoxyethoxy)propoxy]propyl]pyridin-2-one
CID 103401156
6-amino-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3H-isoindol-1-one
CID 112591350
2-(2-aminoethyl)-7-tert-butyl-3,4-dihydroisoquinolin-1-one
CID 82130739

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-[3-(2-methoxyethoxy)propyl]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 7-amino-2-[3-(2-methoxyethoxy)propyl]-3,4-dihydroisoquinolin-1-one (CID 103409761) is 7-amino-2-[3-(2-methoxyethoxy)propyl]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 7-amino-2-[3-(2-methoxyethoxy)propyl]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 7-amino-2-[3-(2-methoxyethoxy)propyl]-3,4-dihydroisoquinolin-1-one is COCCOCCCN1CCc2ccc(N)cc2C1=O.
What is the InChIKey of 7-amino-2-[3-(2-methoxyethoxy)propyl]-3,4-dihydroisoquinolin-1-one?
The InChIKey is SGSYCCXZWRAKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-9-10-20-8-2-6-17-7-5-12-3-4-13(16)11-14(12)15(17)18/h3-4,11H,2,5-10,16H2,1H3.
What are the key properties of 7-amino-2-[3-(2-methoxyethoxy)propyl]-3,4-dihydroisoquinolin-1-one?
7-amino-2-[3-(2-methoxyethoxy)propyl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 278.35 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-[3-(2-methoxyethoxy)propyl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 103409761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).