3-benzyl-N-quinolin-8-yl-4-trimethylsilylbutanamide

C23H28N2OSi — CID 163364528

IUPAC3-benzyl-N-quinolin-8-yl-4-trimethylsilylbutanamide
SMILESC[Si](C)(C)CC(CC(=O)Nc1cccc2cccnc12)Cc1ccccc1
InChIInChI=1S/C23H28N2OSi/c1-27(2,3)17-19(15-18-9-5-4-6-10-18)16-22(26)25-21-13-7-11-20-12-8-14-24-23(20)21/h4-14,19H,15-17H2,1-3H3,(H,25,26)
InChIKeyPEIHKOQRTLLRHP-UHFFFAOYSA-N
MW376.58 g/mol
LogP5.76
Rot. Bonds7

About 3-benzyl-N-quinolin-8-yl-4-trimethylsilylbutanamide

3-benzyl-N-quinolin-8-yl-4-trimethylsilylbutanamide (PubChem CID 163364528) has the molecular formula C23H28N2OSi and a molecular weight of 376.58 g/mol. Its IUPAC name is 3-benzyl-N-quinolin-8-yl-4-trimethylsilylbutanamide.

Molecular Properties

Compound Name3-benzyl-N-quinolin-8-yl-4-trimethylsilylbutanamide
PubChem CID163364528
Molecular FormulaC23H28N2OSi
Molecular Weight376.58 g/mol
Exact Mass376.20
IUPAC Name3-benzyl-N-quinolin-8-yl-4-trimethylsilylbutanamide
SMILESC[Si](C)(C)CC(CC(=O)Nc1cccc2cccnc12)Cc1ccccc1
InChIInChI=1S/C23H28N2OSi/c1-27(2,3)17-19(15-18-9-5-4-6-10-18)16-22(26)25-21-13-7-11-20-12-8-14-24-23(20)21/h4-14,19H,15-17H2,1-3H3,(H,25,26)
InChIKeyPEIHKOQRTLLRHP-UHFFFAOYSA-N
XLogP5.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.58
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-phenyl-N-quinolin-8-yl-3-(trimethylsilylmethyl)hexanamide
CID 163364527
(3R)-3-methyl-4-phenyl-N-quinolin-8-ylbutanamide
CID 122231949
3-[[dimethyl(phenyl)silyl]methyl]-6,6,6-trifluoro-N-quinolin-8-ylhexanamide
CID 163364486
5-(4-bromophenyl)-3-[[dimethyl(phenyl)silyl]methyl]-N-quinolin-8-ylpentanamide
CID 163364514
3-benzyl-5-(4-methoxyphenyl)-N-quinolin-8-ylpent-4-ynamide
CID 163216169
3-(cyanomethyl)-N-quinolin-8-ylhexanamide
CID 132516611
N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide
CID 108946174
5-[dimethyl(phenyl)silyl]-4-methyl-N-quinolin-8-ylpentanamide
CID 163364489
2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylacetic acid
CID 104569029
3-[[dimethyl(phenyl)silyl]methyl]-6,10-dimethyl-N-quinolin-8-ylundec-9-enamide
CID 175252766
2-(3-methylphenyl)-N-quinolin-8-ylacetamide
CID 113098821
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-quinolin-8-yl-4-trimethylsilylbutanamide?
The IUPAC name of 3-benzyl-N-quinolin-8-yl-4-trimethylsilylbutanamide (CID 163364528) is 3-benzyl-N-quinolin-8-yl-4-trimethylsilylbutanamide.
What is the SMILES notation for 3-benzyl-N-quinolin-8-yl-4-trimethylsilylbutanamide?
The canonical SMILES for 3-benzyl-N-quinolin-8-yl-4-trimethylsilylbutanamide is C[Si](C)(C)CC(CC(=O)Nc1cccc2cccnc12)Cc1ccccc1.
What is the InChIKey of 3-benzyl-N-quinolin-8-yl-4-trimethylsilylbutanamide?
The InChIKey is PEIHKOQRTLLRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2OSi/c1-27(2,3)17-19(15-18-9-5-4-6-10-18)16-22(26)25-21-13-7-11-20-12-8-14-24-23(20)21/h4-14,19H,15-17H2,1-3H3,(H,25,26).
What are the key properties of 3-benzyl-N-quinolin-8-yl-4-trimethylsilylbutanamide?
3-benzyl-N-quinolin-8-yl-4-trimethylsilylbutanamide has a molecular weight of 376.58 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-quinolin-8-yl-4-trimethylsilylbutanamide is sourced from PubChem (CID 163364528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).