3-[[dimethyl(phenyl)silyl]methyl]-6,10-dimethyl-N-quinolin-8-ylundec-9-enamide

C31H42N2OSi — CID 175252766

IUPAC3-[[dimethyl(phenyl)silyl]methyl]-6,10-dimethyl-N-quinolin-8-ylundec-9-enamide
SMILESCC(C)=CCCC(C)CCC(CC(=O)Nc1cccc2cccnc12)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C31H42N2OSi/c1-24(2)12-9-13-25(3)19-20-26(23-35(4,5)28-16-7-6-8-17-28)22-30(34)33-29-18-10-14-27-15-11-21-32-31(27)29/h6-8,10-12,14-18,21,25-26H,9,13,19-20,22-23H2,1-5H3,(H,33,34)
InChIKeyFNWAWUNSPUVTKW-UHFFFAOYSA-N
MW486.78 g/mol
LogP7.96
Rot. Bonds12

About 3-[[dimethyl(phenyl)silyl]methyl]-6,10-dimethyl-N-quinolin-8-ylundec-9-enamide

3-[[dimethyl(phenyl)silyl]methyl]-6,10-dimethyl-N-quinolin-8-ylundec-9-enamide (PubChem CID 175252766) has the molecular formula C31H42N2OSi and a molecular weight of 486.78 g/mol. Its IUPAC name is 3-[[dimethyl(phenyl)silyl]methyl]-6,10-dimethyl-N-quinolin-8-ylundec-9-enamide.

Molecular Properties

Compound Name3-[[dimethyl(phenyl)silyl]methyl]-6,10-dimethyl-N-quinolin-8-ylundec-9-enamide
PubChem CID175252766
Molecular FormulaC31H42N2OSi
Molecular Weight486.78 g/mol
Exact Mass486.31
IUPAC Name3-[[dimethyl(phenyl)silyl]methyl]-6,10-dimethyl-N-quinolin-8-ylundec-9-enamide
SMILESCC(C)=CCCC(C)CCC(CC(=O)Nc1cccc2cccnc12)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C31H42N2OSi/c1-24(2)12-9-13-25(3)19-20-26(23-35(4,5)28-16-7-6-8-17-28)22-30(34)33-29-18-10-14-27-15-11-21-32-31(27)29/h6-8,10-12,14-18,21,25-26H,9,13,19-20,22-23H2,1-5H3,(H,33,34)
InChIKeyFNWAWUNSPUVTKW-UHFFFAOYSA-N
XLogP7.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.78
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[dimethyl(phenyl)silyl]methyl]-6,10-dimethyl-N-quinolin-8-ylundec-9-enamide?
The IUPAC name of 3-[[dimethyl(phenyl)silyl]methyl]-6,10-dimethyl-N-quinolin-8-ylundec-9-enamide (CID 175252766) is 3-[[dimethyl(phenyl)silyl]methyl]-6,10-dimethyl-N-quinolin-8-ylundec-9-enamide.
What is the SMILES notation for 3-[[dimethyl(phenyl)silyl]methyl]-6,10-dimethyl-N-quinolin-8-ylundec-9-enamide?
The canonical SMILES for 3-[[dimethyl(phenyl)silyl]methyl]-6,10-dimethyl-N-quinolin-8-ylundec-9-enamide is CC(C)=CCCC(C)CCC(CC(=O)Nc1cccc2cccnc12)C[Si](C)(C)c1ccccc1.
What is the InChIKey of 3-[[dimethyl(phenyl)silyl]methyl]-6,10-dimethyl-N-quinolin-8-ylundec-9-enamide?
The InChIKey is FNWAWUNSPUVTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N2OSi/c1-24(2)12-9-13-25(3)19-20-26(23-35(4,5)28-16-7-6-8-17-28)22-30(34)33-29-18-10-14-27-15-11-21-32-31(27)29/h6-8,10-12,14-18,21,25-26H,9,13,19-20,22-23H2,1-5H3,(H,33,34).
What are the key properties of 3-[[dimethyl(phenyl)silyl]methyl]-6,10-dimethyl-N-quinolin-8-ylundec-9-enamide?
3-[[dimethyl(phenyl)silyl]methyl]-6,10-dimethyl-N-quinolin-8-ylundec-9-enamide has a molecular weight of 486.78 g/mol, XLogP of 7.96, 12 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]-6,10-dimethyl-N-quinolin-8-ylundec-9-enamide is sourced from PubChem (CID 175252766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).