7-fluoro-3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one

C16H23FN2O3Si — CID 157306987

IUPAC7-fluoro-3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one
SMILESC[Si](C)(C)CCOCn1nc(CCO)c(=O)c2ccc(F)cc21
InChIInChI=1S/C16H23FN2O3Si/c1-23(2,3)9-8-22-11-19-15-10-12(17)4-5-13(15)16(21)14(18-19)6-7-20/h4-5,10,20H,6-9,11H2,1-3H3
InChIKeyBCPDWQJDBQMOGB-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.38
Rot. Bonds7

About 7-fluoro-3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one

7-fluoro-3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one (PubChem CID 157306987) has the molecular formula C16H23FN2O3Si and a molecular weight of 338.46 g/mol. Its IUPAC name is 7-fluoro-3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one
PubChem CID157306987
Molecular FormulaC16H23FN2O3Si
Molecular Weight338.46 g/mol
Exact Mass338.15
IUPAC Name7-fluoro-3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one
SMILESC[Si](C)(C)CCOCn1nc(CCO)c(=O)c2ccc(F)cc21
InChIInChI=1S/C16H23FN2O3Si/c1-23(2,3)9-8-22-11-19-15-10-12(17)4-5-13(15)16(21)14(18-19)6-7-20/h4-5,10,20H,6-9,11H2,1-3H3
InChIKeyBCPDWQJDBQMOGB-UHFFFAOYSA-N
XLogP2.38
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.38
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
2-[7-Fluoro-4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]acetaldehyde
CID 161321462
1-Propan-2-yl-7-(trifluoromethyl)-3-[2-tri(propan-2-yl)silyloxyethyl]cinnolin-4-one
CID 163204513
1-Cyclopropyl-3-(2-hydroxyethyl)-7-(trifluoromethyl)cinnolin-4-one
CID 163218876
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
Methyl 2-[7-fluoro-4-oxo-1-[2-(trimethyl-lambda4-sulfanyl)ethoxymethyl]cinnolin-3-yl]acetate
CID 166786406

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one?
The IUPAC name of 7-fluoro-3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one (CID 157306987) is 7-fluoro-3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one.
What is the SMILES notation for 7-fluoro-3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one?
The canonical SMILES for 7-fluoro-3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one is C[Si](C)(C)CCOCn1nc(CCO)c(=O)c2ccc(F)cc21.
What is the InChIKey of 7-fluoro-3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one?
The InChIKey is BCPDWQJDBQMOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3Si/c1-23(2,3)9-8-22-11-19-15-10-12(17)4-5-13(15)16(21)14(18-19)6-7-20/h4-5,10,20H,6-9,11H2,1-3H3.
What are the key properties of 7-fluoro-3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one?
7-fluoro-3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one has a molecular weight of 338.46 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(2-hydroxyethyl)-1-(2-trimethylsilylethoxymethyl)cinnolin-4-one is sourced from PubChem (CID 157306987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).