trimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane

C19H25N3OSi — CID 167445677

IUPACtrimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane
SMILESCc1cc(-c2cnn(COCC[Si](C)(C)C)c2)c2ccccc2n1
InChIInChI=1S/C19H25N3OSi/c1-15-11-18(17-7-5-6-8-19(17)21-15)16-12-20-22(13-16)14-23-9-10-24(2,3)4/h5-8,11-13H,9-10,14H2,1-4H3
InChIKeySSMPSDAUKOUVSR-UHFFFAOYSA-N
MW339.52 g/mol
LogP4.72
Rot. Bonds6

About trimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane (PubChem CID 167445677) has the molecular formula C19H25N3OSi and a molecular weight of 339.52 g/mol. Its IUPAC name is trimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane
PubChem CID167445677
Molecular FormulaC19H25N3OSi
Molecular Weight339.52 g/mol
Exact Mass339.18
IUPAC Nametrimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane
SMILESCc1cc(-c2cnn(COCC[Si](C)(C)C)c2)c2ccccc2n1
InChIInChI=1S/C19H25N3OSi/c1-15-11-18(17-7-5-6-8-19(17)21-15)16-12-20-22(13-16)14-23-9-10-24(2,3)4/h5-8,11-13H,9-10,14H2,1-4H3
InChIKeySSMPSDAUKOUVSR-UHFFFAOYSA-N
XLogP4.72
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 trimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane (CID 167445677) is trimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane is Cc1cc(-c2cnn(COCC[Si](C)(C)C)c2)c2ccccc2n1.
What is the InChIKey of trimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane?
The InChIKey is SSMPSDAUKOUVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OSi/c1-15-11-18(17-7-5-6-8-19(17)21-15)16-12-20-22(13-16)14-23-9-10-24(2,3)4/h5-8,11-13H,9-10,14H2,1-4H3.
What are the key properties of trimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane has a molecular weight of 339.52 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 167445677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).