3-(2-hydroxyethyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one

C17H26N2O3Si — CID 147402719

IUPAC3-(2-hydroxyethyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one
SMILESCc1cccc2c1c(=O)c(CCO)nn2COCC[Si](C)(C)C
InChIInChI=1S/C17H26N2O3Si/c1-13-6-5-7-15-16(13)17(21)14(8-9-20)18-19(15)12-22-10-11-23(2,3)4/h5-7,20H,8-12H2,1-4H3
InChIKeyDPBQDVSXWQIIRK-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.55
Rot. Bonds7

About 3-(2-hydroxyethyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one

3-(2-hydroxyethyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one (PubChem CID 147402719) has the molecular formula C17H26N2O3Si and a molecular weight of 334.49 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one
PubChem CID147402719
Molecular FormulaC17H26N2O3Si
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name3-(2-hydroxyethyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one
SMILESCc1cccc2c1c(=O)c(CCO)nn2COCC[Si](C)(C)C
InChIInChI=1S/C17H26N2O3Si/c1-13-6-5-7-15-16(13)17(21)14(8-9-20)18-19(15)12-22-10-11-23(2,3)4/h5-7,20H,8-12H2,1-4H3
InChIKeyDPBQDVSXWQIIRK-UHFFFAOYSA-N
XLogP2.55
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-[7-fluoro-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetate
CID 148734299
2-[7-Fluoro-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetic acid
CID 153170042
7-Fluoro-3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one
CID 157306987
1-Propan-2-yl-7-(trifluoromethyl)-3-[2-tri(propan-2-yl)silyloxyethyl]cinnolin-4-one
CID 163204513
1-Cyclopropyl-7-(trifluoromethyl)-3-[2-tri(propan-2-yl)silyloxyethyl]cinnolin-4-one
CID 163219006
1-Ethyl-7-(trifluoromethyl)-3-[2-tri(propan-2-yl)silyloxyethyl]cinnolin-4-one
CID 163219028
3-(2-Hydroxyethyl)-1-propan-2-yl-7-(trifluoromethyl)cinnolin-4-one
CID 163219089
1-Ethyl-3-(2-hydroxyethyl)-7-(trifluoromethyl)cinnolin-4-one
CID 163219149
1-Butan-2-yl-3-(2-hydroxyethyl)-7-(trifluoromethyl)cinnolin-4-one
CID 163219191
7-Fluoro-3-(2-hydroxyethyl)-1-[2-(trimethyl-lambda4-sulfanyl)ethoxymethyl]cinnolin-4-one
CID 166786141
3-(2-Hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one
CID 146823099
2-[4-Oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetic acid
CID 146836711

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one (CID 147402719) is 3-(2-hydroxyethyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one is Cc1cccc2c1c(=O)c(CCO)nn2COCC[Si](C)(C)C.
What is the InChIKey of 3-(2-hydroxyethyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one?
The InChIKey is DPBQDVSXWQIIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3Si/c1-13-6-5-7-15-16(13)17(21)14(8-9-20)18-19(15)12-22-10-11-23(2,3)4/h5-7,20H,8-12H2,1-4H3.
What are the key properties of 3-(2-hydroxyethyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one?
3-(2-hydroxyethyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one has a molecular weight of 334.49 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-5-methyl-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one is sourced from PubChem (CID 147402719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).