2-trimethylsilylethyl 4-hydroxyisoquinoline-6-carboxylate

C15H19NO3Si — CID 58495795

IUPAC2-trimethylsilylethyl 4-hydroxyisoquinoline-6-carboxylate
SMILESC[Si](C)(C)CCOC(=O)c1ccc2cncc(O)c2c1
InChIInChI=1S/C15H19NO3Si/c1-20(2,3)7-6-19-15(18)11-4-5-12-9-16-10-14(17)13(12)8-11/h4-5,8-10,17H,6-7H2,1-3H3
InChIKeyWUHBBKAXYKRLDG-UHFFFAOYSA-N
MW289.41 g/mol
LogP3.44
Rot. Bonds4

About 2-trimethylsilylethyl 4-hydroxyisoquinoline-6-carboxylate

2-trimethylsilylethyl 4-hydroxyisoquinoline-6-carboxylate (PubChem CID 58495795) has the molecular formula C15H19NO3Si and a molecular weight of 289.41 g/mol. Its IUPAC name is 2-trimethylsilylethyl 4-hydroxyisoquinoline-6-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl 4-hydroxyisoquinoline-6-carboxylate
PubChem CID58495795
Molecular FormulaC15H19NO3Si
Molecular Weight289.41 g/mol
Exact Mass289.11
IUPAC Name2-trimethylsilylethyl 4-hydroxyisoquinoline-6-carboxylate
SMILESC[Si](C)(C)CCOC(=O)c1ccc2cncc(O)c2c1
InChIInChI=1S/C15H19NO3Si/c1-20(2,3)7-6-19-15(18)11-4-5-12-9-16-10-14(17)13(12)8-11/h4-5,8-10,17H,6-7H2,1-3H3
InChIKeyWUHBBKAXYKRLDG-UHFFFAOYSA-N
XLogP3.44
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-trimethylsilylethyl 4-hydroxybenzoate
CID 10847549
2-trimethylsilylethyl 4-[4-(3-morpholin-4-yl-3-oxopropyl)phenyl]isoquinoline-6-carboxylate
CID 66730455
2-trimethylsilylethyl 4-iodobenzoate
CID 11290981
2-trimethylsilylethyl 4-amino-3-methoxybenzoate
CID 10778254
2-trimethylsilylethyl 4-(hydroxymethyl)benzoate
CID 178078646
2-trimethylsilylethyl 3-(2-bromoacetyl)benzoate
CID 131742717
2-trimethylsilylethyl 4-(2-chloro-2-oxoethyl)benzoate
CID 10804066
6-(4-aminophenoxy)isoquinolin-4-ol
CID 174742458
2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate
CID 67965026
6-O-propyl 2-O-(2-sulfanylethyl) naphthalene-2,6-dicarboxylate
CID 161312884
2-trimethylsilylethyl 3-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 10690077
butyl 7-benzo[g][1,3]benzoxazol-2-yl-6-hydroxynaphthalene-2-carboxylate
CID 136601186

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 4-hydroxyisoquinoline-6-carboxylate?
The IUPAC name of 2-trimethylsilylethyl 4-hydroxyisoquinoline-6-carboxylate (CID 58495795) is 2-trimethylsilylethyl 4-hydroxyisoquinoline-6-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl 4-hydroxyisoquinoline-6-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl 4-hydroxyisoquinoline-6-carboxylate is C[Si](C)(C)CCOC(=O)c1ccc2cncc(O)c2c1.
What is the InChIKey of 2-trimethylsilylethyl 4-hydroxyisoquinoline-6-carboxylate?
The InChIKey is WUHBBKAXYKRLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3Si/c1-20(2,3)7-6-19-15(18)11-4-5-12-9-16-10-14(17)13(12)8-11/h4-5,8-10,17H,6-7H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 4-hydroxyisoquinoline-6-carboxylate?
2-trimethylsilylethyl 4-hydroxyisoquinoline-6-carboxylate has a molecular weight of 289.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 4-hydroxyisoquinoline-6-carboxylate is sourced from PubChem (CID 58495795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).