trimethylsilyl 3,4-bis(trimethylsilyloxy)quinoline-2-carboxylate

C19H31NO4Si3 — CID 91749590

IUPACtrimethylsilyl 3,4-bis(trimethylsilyloxy)quinoline-2-carboxylate
SMILESC[Si](C)(C)OC(=O)c1nc2ccccc2c(O[Si](C)(C)C)c1O[Si](C)(C)C
InChIInChI=1S/C19H31NO4Si3/c1-25(2,3)22-17-14-12-10-11-13-15(14)20-16(18(17)23-26(4,5)6)19(21)24-27(7,8)9/h10-13H,1-9H3
InChIKeyMYDHGOQGGNWZHZ-UHFFFAOYSA-N
MW421.72 g/mol
LogP5.65
Rot. Bonds6

About trimethylsilyl 3,4-bis(trimethylsilyloxy)quinoline-2-carboxylate

trimethylsilyl 3,4-bis(trimethylsilyloxy)quinoline-2-carboxylate (PubChem CID 91749590) has the molecular formula C19H31NO4Si3 and a molecular weight of 421.72 g/mol. Its IUPAC name is trimethylsilyl 3,4-bis(trimethylsilyloxy)quinoline-2-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 3,4-bis(trimethylsilyloxy)quinoline-2-carboxylate
PubChem CID91749590
Molecular FormulaC19H31NO4Si3
Molecular Weight421.72 g/mol
Exact Mass421.16
IUPAC Nametrimethylsilyl 3,4-bis(trimethylsilyloxy)quinoline-2-carboxylate
SMILESC[Si](C)(C)OC(=O)c1nc2ccccc2c(O[Si](C)(C)C)c1O[Si](C)(C)C
InChIInChI=1S/C19H31NO4Si3/c1-25(2,3)22-17-14-12-10-11-13-15(14)20-16(18(17)23-26(4,5)6)19(21)24-27(7,8)9/h10-13H,1-9H3
InChIKeyMYDHGOQGGNWZHZ-UHFFFAOYSA-N
XLogP5.65
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.72
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3,4-bis(trimethylsilyloxy)quinoline-2-carboxylate?
The IUPAC name of trimethylsilyl 3,4-bis(trimethylsilyloxy)quinoline-2-carboxylate (CID 91749590) is trimethylsilyl 3,4-bis(trimethylsilyloxy)quinoline-2-carboxylate.
What is the SMILES notation for trimethylsilyl 3,4-bis(trimethylsilyloxy)quinoline-2-carboxylate?
The canonical SMILES for trimethylsilyl 3,4-bis(trimethylsilyloxy)quinoline-2-carboxylate is C[Si](C)(C)OC(=O)c1nc2ccccc2c(O[Si](C)(C)C)c1O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3,4-bis(trimethylsilyloxy)quinoline-2-carboxylate?
The InChIKey is MYDHGOQGGNWZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO4Si3/c1-25(2,3)22-17-14-12-10-11-13-15(14)20-16(18(17)23-26(4,5)6)19(21)24-27(7,8)9/h10-13H,1-9H3.
What are the key properties of trimethylsilyl 3,4-bis(trimethylsilyloxy)quinoline-2-carboxylate?
trimethylsilyl 3,4-bis(trimethylsilyloxy)quinoline-2-carboxylate has a molecular weight of 421.72 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3,4-bis(trimethylsilyloxy)quinoline-2-carboxylate is sourced from PubChem (CID 91749590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).