3-[[dimethyl(phenyl)silyl]methyl]-6,6,6-trifluoro-N-quinolin-8-ylhexanamide

C24H27F3N2OSi — CID 163364486

IUPAC3-[[dimethyl(phenyl)silyl]methyl]-6,6,6-trifluoro-N-quinolin-8-ylhexanamide
SMILESC[Si](C)(CC(CCC(F)(F)F)CC(=O)Nc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C24H27F3N2OSi/c1-31(2,20-10-4-3-5-11-20)17-18(13-14-24(25,26)27)16-22(30)29-21-12-6-8-19-9-7-15-28-23(19)21/h3-12,15,18H,13-14,16-17H2,1-2H3,(H,29,30)
InChIKeyVLMSTYLFSVCSJY-UHFFFAOYSA-N
MW444.57 g/mol
LogP6.14
Rot. Bonds8

About 3-[[dimethyl(phenyl)silyl]methyl]-6,6,6-trifluoro-N-quinolin-8-ylhexanamide

3-[[dimethyl(phenyl)silyl]methyl]-6,6,6-trifluoro-N-quinolin-8-ylhexanamide (PubChem CID 163364486) has the molecular formula C24H27F3N2OSi and a molecular weight of 444.57 g/mol. Its IUPAC name is 3-[[dimethyl(phenyl)silyl]methyl]-6,6,6-trifluoro-N-quinolin-8-ylhexanamide.

Molecular Properties

Compound Name3-[[dimethyl(phenyl)silyl]methyl]-6,6,6-trifluoro-N-quinolin-8-ylhexanamide
PubChem CID163364486
Molecular FormulaC24H27F3N2OSi
Molecular Weight444.57 g/mol
Exact Mass444.18
IUPAC Name3-[[dimethyl(phenyl)silyl]methyl]-6,6,6-trifluoro-N-quinolin-8-ylhexanamide
SMILESC[Si](C)(CC(CCC(F)(F)F)CC(=O)Nc1cccc2cccnc12)c1ccccc1
InChIInChI=1S/C24H27F3N2OSi/c1-31(2,20-10-4-3-5-11-20)17-18(13-14-24(25,26)27)16-22(30)29-21-12-6-8-19-9-7-15-28-23(19)21/h3-12,15,18H,13-14,16-17H2,1-2H3,(H,29,30)
InChIKeyVLMSTYLFSVCSJY-UHFFFAOYSA-N
XLogP6.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.57
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[[dimethyl(phenyl)silyl]methyl]-6,6,6-trifluoro-N-quinolin-8-ylhexanamide with MolForge

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Related Compounds

5-(4-bromophenyl)-3-[[dimethyl(phenyl)silyl]methyl]-N-quinolin-8-ylpentanamide
CID 163364514
3-[[dimethyl(phenyl)silyl]methyl]-6,10-dimethyl-N-quinolin-8-ylundec-9-enamide
CID 175252766
5-[dimethyl(phenyl)silyl]-4-methyl-N-quinolin-8-ylpentanamide
CID 163364489
3-benzyl-N-quinolin-8-yl-4-trimethylsilylbutanamide
CID 163364528
6-phenyl-N-quinolin-8-yl-3-(trimethylsilylmethyl)hexanamide
CID 163364527
(3R)-3-methyl-4-phenyl-N-quinolin-8-ylbutanamide
CID 122231949
3-(cyanomethyl)-N-quinolin-8-ylhexanamide
CID 132516611
2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylacetic acid
CID 104569029
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
N-quinolin-8-ylhex-3-enamide
CID 151663814
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-quinolin-8-ylacetamide
CID 16622456
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107

Frequently Asked Questions

What is the IUPAC name of 3-[[dimethyl(phenyl)silyl]methyl]-6,6,6-trifluoro-N-quinolin-8-ylhexanamide?
The IUPAC name of 3-[[dimethyl(phenyl)silyl]methyl]-6,6,6-trifluoro-N-quinolin-8-ylhexanamide (CID 163364486) is 3-[[dimethyl(phenyl)silyl]methyl]-6,6,6-trifluoro-N-quinolin-8-ylhexanamide.
What is the SMILES notation for 3-[[dimethyl(phenyl)silyl]methyl]-6,6,6-trifluoro-N-quinolin-8-ylhexanamide?
The canonical SMILES for 3-[[dimethyl(phenyl)silyl]methyl]-6,6,6-trifluoro-N-quinolin-8-ylhexanamide is C[Si](C)(CC(CCC(F)(F)F)CC(=O)Nc1cccc2cccnc12)c1ccccc1.
What is the InChIKey of 3-[[dimethyl(phenyl)silyl]methyl]-6,6,6-trifluoro-N-quinolin-8-ylhexanamide?
The InChIKey is VLMSTYLFSVCSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2OSi/c1-31(2,20-10-4-3-5-11-20)17-18(13-14-24(25,26)27)16-22(30)29-21-12-6-8-19-9-7-15-28-23(19)21/h3-12,15,18H,13-14,16-17H2,1-2H3,(H,29,30).
What are the key properties of 3-[[dimethyl(phenyl)silyl]methyl]-6,6,6-trifluoro-N-quinolin-8-ylhexanamide?
3-[[dimethyl(phenyl)silyl]methyl]-6,6,6-trifluoro-N-quinolin-8-ylhexanamide has a molecular weight of 444.57 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[dimethyl(phenyl)silyl]methyl]-6,6,6-trifluoro-N-quinolin-8-ylhexanamide is sourced from PubChem (CID 163364486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).