5-(2-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one

C17H25NO3Si — CID 167442852

IUPAC5-(2-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one
SMILESC[Si](C)(C)CCOCn1ccc2c(CCO)cccc2c1=O
InChIInChI=1S/C17H25NO3Si/c1-22(2,3)12-11-21-13-18-9-7-15-14(8-10-19)5-4-6-16(15)17(18)20/h4-7,9,19H,8,10-13H2,1-3H3
InChIKeyGHNFTBKLUALYDG-UHFFFAOYSA-N
MW319.48 g/mol
LogP2.85
Rot. Bonds7

About 5-(2-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one

5-(2-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one (PubChem CID 167442852) has the molecular formula C17H25NO3Si and a molecular weight of 319.48 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one
PubChem CID167442852
Molecular FormulaC17H25NO3Si
Molecular Weight319.48 g/mol
Exact Mass319.16
IUPAC Name5-(2-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one
SMILESC[Si](C)(C)CCOCn1ccc2c(CCO)cccc2c1=O
InChIInChI=1S/C17H25NO3Si/c1-22(2,3)12-11-21-13-18-9-7-15-14(8-10-19)5-4-6-16(15)17(18)20/h4-7,9,19H,8,10-13H2,1-3H3
InChIKeyGHNFTBKLUALYDG-UHFFFAOYSA-N
XLogP2.85
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)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

tert-butyl 3-[2-[1-oxo-2-(2-trimethylsilylethoxymethyl)isoquinolin-5-yl]ethoxy]propanoate
CID 167442897
2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid
CID 22170985
5-(1-hydroxypropan-2-yl)-2-(2-trimethylsilylethoxymethyl)phthalazin-1-one
CID 170983030
trimethyl-[2-[(4-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
CID 141424330
4,6-dibromo-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one
CID 140829624
N-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178122976
trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]methoxy]ethyl]silane
CID 169306021
trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
CID 59420154
2-(2-hydroxyethyl)-5-methylisoquinolin-1-one
CID 58270417
7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 70983690
2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 13211466
trimethyl-[2-[(4-pyrazol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane
CID 163832201

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one?
The IUPAC name of 5-(2-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one (CID 167442852) is 5-(2-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one?
The canonical SMILES for 5-(2-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one is C[Si](C)(C)CCOCn1ccc2c(CCO)cccc2c1=O.
What is the InChIKey of 5-(2-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one?
The InChIKey is GHNFTBKLUALYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3Si/c1-22(2,3)12-11-21-13-18-9-7-15-14(8-10-19)5-4-6-16(15)17(18)20/h4-7,9,19H,8,10-13H2,1-3H3.
What are the key properties of 5-(2-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one?
5-(2-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one has a molecular weight of 319.48 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one is sourced from PubChem (CID 167442852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).