[4-Butyl-2-(trifluoromethyl)quinolin-3-yl]oxy-dimethylsilane

C16H19F3NOSi — CID 162621570

IUPAC—
SMILESCCCCc1c(O[Si](C)C)c(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C16H19F3NOSi/c1-4-5-8-12-11-9-6-7-10-13(11)20-15(16(17,18)19)14(12)21-22(2)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyNDWHPUMWMVBLAM-UHFFFAOYSA-N
MW326.41 g/mol
LogP5.23
Rot. Bonds5

About [4-Butyl-2-(trifluoromethyl)quinolin-3-yl]oxy-dimethylsilane

[4-Butyl-2-(trifluoromethyl)quinolin-3-yl]oxy-dimethylsilane (PubChem CID 162621570) has the molecular formula C16H19F3NOSi and a molecular weight of 326.41 g/mol.

Molecular Properties

Compound Name[4-Butyl-2-(trifluoromethyl)quinolin-3-yl]oxy-dimethylsilane
PubChem CID162621570
Molecular FormulaC16H19F3NOSi
Molecular Weight326.41 g/mol
Exact Mass326.12
IUPAC Name—
SMILESCCCCc1c(O[Si](C)C)c(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C16H19F3NOSi/c1-4-5-8-12-11-9-6-7-10-13(11)20-15(16(17,18)19)14(12)21-22(2)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyNDWHPUMWMVBLAM-UHFFFAOYSA-N
XLogP5.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.41
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-Butyl-2-(trifluoromethyl)quinolin-3-yl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-Butyl-2-(trifluoromethyl)quinolin-3-yl]oxy-dimethylsilane?
The IUPAC name of [4-Butyl-2-(trifluoromethyl)quinolin-3-yl]oxy-dimethylsilane (CID 162621570) is not available.
What is the SMILES notation for [4-Butyl-2-(trifluoromethyl)quinolin-3-yl]oxy-dimethylsilane?
The canonical SMILES for [4-Butyl-2-(trifluoromethyl)quinolin-3-yl]oxy-dimethylsilane is CCCCc1c(O[Si](C)C)c(C(F)(F)F)nc2ccccc12.
What is the InChIKey of [4-Butyl-2-(trifluoromethyl)quinolin-3-yl]oxy-dimethylsilane?
The InChIKey is NDWHPUMWMVBLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3NOSi/c1-4-5-8-12-11-9-6-7-10-13(11)20-15(16(17,18)19)14(12)21-22(2)3/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of [4-Butyl-2-(trifluoromethyl)quinolin-3-yl]oxy-dimethylsilane?
[4-Butyl-2-(trifluoromethyl)quinolin-3-yl]oxy-dimethylsilane has a molecular weight of 326.41 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-Butyl-2-(trifluoromethyl)quinolin-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 162621570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).