3-fluoro-N-quinolin-8-yl-2,6-bis(2-triethylsilylethyl)benzamide

C32H47FN2OSi2 — CID 177414845

IUPAC3-fluoro-N-quinolin-8-yl-2,6-bis(2-triethylsilylethyl)benzamide
SMILESCC[Si](CC)(CC)CCc1ccc(F)c(CC[Si](CC)(CC)CC)c1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C32H47FN2OSi2/c1-7-37(8-2,9-3)23-20-25-18-19-28(33)27(21-24-38(10-4,11-5)12-6)30(25)32(36)35-29-17-13-15-26-16-14-22-34-31(26)29/h13-19,22H,7-12,20-21,23-24H2,1-6H3,(H,35,36)
InChIKeyFXEJUIKFAKOWRL-UHFFFAOYSA-N
MW550.91 g/mol
LogP9.73
Rot. Bonds14

About 3-fluoro-N-quinolin-8-yl-2,6-bis(2-triethylsilylethyl)benzamide

3-fluoro-N-quinolin-8-yl-2,6-bis(2-triethylsilylethyl)benzamide (PubChem CID 177414845) has the molecular formula C32H47FN2OSi2 and a molecular weight of 550.91 g/mol. Its IUPAC name is 3-fluoro-N-quinolin-8-yl-2,6-bis(2-triethylsilylethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-quinolin-8-yl-2,6-bis(2-triethylsilylethyl)benzamide
PubChem CID177414845
Molecular FormulaC32H47FN2OSi2
Molecular Weight550.91 g/mol
Exact Mass550.32
IUPAC Name3-fluoro-N-quinolin-8-yl-2,6-bis(2-triethylsilylethyl)benzamide
SMILESCC[Si](CC)(CC)CCc1ccc(F)c(CC[Si](CC)(CC)CC)c1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C32H47FN2OSi2/c1-7-37(8-2,9-3)23-20-25-18-19-28(33)27(21-24-38(10-4,11-5)12-6)30(25)32(36)35-29-17-13-15-26-16-14-22-34-31(26)29/h13-19,22H,7-12,20-21,23-24H2,1-6H3,(H,35,36)
InChIKeyFXEJUIKFAKOWRL-UHFFFAOYSA-N
XLogP9.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.91
LogP ≤ 59.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoro-N-quinolin-8-yl-2,6-bis(2-triethylsilylethyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-phenyl-N-quinolin-8-yl-6-(2-triethylsilylethyl)benzamide
CID 177432131
ethyl 2-[3,4-dimethyl-2-(quinolin-8-ylcarbamoyl)phenyl]acetate
CID 177421330
2-[(E)-pent-2-enyl]-N-quinolin-8-yl-6-(trifluoromethyl)benzamide
CID 132547082
3-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846762
5-chloro-2-fluoro-N-quinolin-8-ylbenzamide
CID 17416993
2-butyl-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
CID 71657963
2-methyl-N-quinolin-8-ylnaphthalene-1-carboxamide
CID 132837940
6-N,6-N-diethyl-2-N-quinolin-8-ylpyridine-2,6-dicarboxamide
CID 109099049
5-bromo-2-fluoro-N-quinolin-8-ylbenzamide
CID 24710942
2-[(2S)-2-(1,3-dihydroxyisoindol-2-yl)propyl]-6-fluoro-N-quinolin-8-ylbenzamide
CID 162353981
1-propyl-3-quinolin-8-ylurea
CID 13078451
3,4-difluoro-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 113000714

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-quinolin-8-yl-2,6-bis(2-triethylsilylethyl)benzamide?
The IUPAC name of 3-fluoro-N-quinolin-8-yl-2,6-bis(2-triethylsilylethyl)benzamide (CID 177414845) is 3-fluoro-N-quinolin-8-yl-2,6-bis(2-triethylsilylethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-quinolin-8-yl-2,6-bis(2-triethylsilylethyl)benzamide?
The canonical SMILES for 3-fluoro-N-quinolin-8-yl-2,6-bis(2-triethylsilylethyl)benzamide is CC[Si](CC)(CC)CCc1ccc(F)c(CC[Si](CC)(CC)CC)c1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 3-fluoro-N-quinolin-8-yl-2,6-bis(2-triethylsilylethyl)benzamide?
The InChIKey is FXEJUIKFAKOWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47FN2OSi2/c1-7-37(8-2,9-3)23-20-25-18-19-28(33)27(21-24-38(10-4,11-5)12-6)30(25)32(36)35-29-17-13-15-26-16-14-22-34-31(26)29/h13-19,22H,7-12,20-21,23-24H2,1-6H3,(H,35,36).
What are the key properties of 3-fluoro-N-quinolin-8-yl-2,6-bis(2-triethylsilylethyl)benzamide?
3-fluoro-N-quinolin-8-yl-2,6-bis(2-triethylsilylethyl)benzamide has a molecular weight of 550.91 g/mol, XLogP of 9.73, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-quinolin-8-yl-2,6-bis(2-triethylsilylethyl)benzamide is sourced from PubChem (CID 177414845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).