methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]propanoate

C18H26N2O4Si — CID 151883037

IUPACmethyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]propanoate
SMILESCOC(=O)C(C)c1nn(COCC[Si](C)(C)C)c2ccccc2c1=O
InChIInChI=1S/C18H26N2O4Si/c1-13(18(22)23-2)16-17(21)14-8-6-7-9-15(14)20(19-16)12-24-10-11-25(3,4)5/h6-9,13H,10-12H2,1-5H3
InChIKeySPCSBPNWVQDULL-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.99
Rot. Bonds7

About methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]propanoate

methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]propanoate (PubChem CID 151883037) has the molecular formula C18H26N2O4Si and a molecular weight of 362.50 g/mol. Its IUPAC name is methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]propanoate
PubChem CID151883037
Molecular FormulaC18H26N2O4Si
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Namemethyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]propanoate
SMILESCOC(=O)C(C)c1nn(COCC[Si](C)(C)C)c2ccccc2c1=O
InChIInChI=1S/C18H26N2O4Si/c1-13(18(22)23-2)16-17(21)14-8-6-7-9-15(14)20(19-16)12-24-10-11-25(3,4)5/h6-9,13H,10-12H2,1-5H3
InChIKeySPCSBPNWVQDULL-UHFFFAOYSA-N
XLogP2.99
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]propanoate?
The IUPAC name of methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]propanoate (CID 151883037) is methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]propanoate.
What is the SMILES notation for methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]propanoate?
The canonical SMILES for methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]propanoate is COC(=O)C(C)c1nn(COCC[Si](C)(C)C)c2ccccc2c1=O.
What is the InChIKey of methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]propanoate?
The InChIKey is SPCSBPNWVQDULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4Si/c1-13(18(22)23-2)16-17(21)14-8-6-7-9-15(14)20(19-16)12-24-10-11-25(3,4)5/h6-9,13H,10-12H2,1-5H3.
What are the key properties of methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]propanoate?
methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]propanoate has a molecular weight of 362.50 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]propanoate is sourced from PubChem (CID 151883037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).