N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-g]quinazolin-8-yl]oxybenzamide

C37H44F3N7O3Si — CID 169304253

About N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-g]quinazolin-8-yl]oxybenzamide

N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-g]quinazolin-8-yl]oxybenzamide (PubChem CID 169304253) has the molecular formula C37H44F3N7O3Si and a molecular weight of 719.89 g/mol. Its IUPAC name is N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-g]quinazolin-8-yl]oxybenzamide.

Molecular Properties

• Compound Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-g]quinazolin-8-yl]oxybenzamide
• PubChem CID: 169304253
• Molecular Formula: C37H44F3N7O3Si
• Molecular Weight: 719.89 g/mol
• Exact Mass: 719.32
• IUPAC Name: N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-g]quinazolin-8-yl]oxybenzamide
• SMILES: CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5cc6c(cc45)ncn6COCC[Si](C)(C)C)c3)cc2C(F)(F)F)CC1
• InChI: InChI=1S/C37H44F3N7O3Si/c1-6-45-11-13-46(14-12-45)21-27-9-10-28(18-30(27)37(38,39)40)44-35(48)26-8-7-25(2)34(17-26)50-36-29-19-32-33(20-31(29)41-22-42-36)47(23-43-32)24-49-15-16-51(3,4)5/h7-10,17-20,22-23H,6,11-16,21,24H2,1-5H3,(H,44,48)
• InChIKey: FLRUFGSJEROPKO-UHFFFAOYSA-N
• XLogP: 7.80
• TPSA: 97.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.89
LogP ≤ 5	7.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-g]quinazolin-8-yl]oxybenzamide?

The IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-g]quinazolin-8-yl]oxybenzamide (CID 169304253) is N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-g]quinazolin-8-yl]oxybenzamide.

What is the SMILES notation for N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-g]quinazolin-8-yl]oxybenzamide?

The canonical SMILES for N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-g]quinazolin-8-yl]oxybenzamide is CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ncnc5cc6c(cc45)ncn6COCC[Si](C)(C)C)c3)cc2C(F)(F)F)CC1.

What is the InChIKey of N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-g]quinazolin-8-yl]oxybenzamide?

The InChIKey is FLRUFGSJEROPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44F3N7O3Si/c1-6-45-11-13-46(14-12-45)21-27-9-10-28(18-30(27)37(38,39)40)44-35(48)26-8-7-25(2)34(17-26)50-36-29-19-32-33(20-31(29)41-22-42-36)47(23-43-32)24-49-15-16-51(3,4)5/h7-10,17-20,22-23H,6,11-16,21,24H2,1-5H3,(H,44,48).

What are the key properties of N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-g]quinazolin-8-yl]oxybenzamide?

N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-g]quinazolin-8-yl]oxybenzamide has a molecular weight of 719.89 g/mol, XLogP of 7.80, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[3-(2-trimethylsilylethoxymethyl)imidazo[4,5-g]quinazolin-8-yl]oxybenzamide is sourced from PubChem (CID 169304253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).