5-fluoro-7-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one

C15H21FN2O3Si — CID 156699040

IUPAC5-fluoro-7-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
SMILESCOc1cc(F)c2c(=O)n(COCC[Si](C)(C)C)cnc2c1
InChIInChI=1S/C15H21FN2O3Si/c1-20-11-7-12(16)14-13(8-11)17-9-18(15(14)19)10-21-5-6-22(2,3)4/h7-9H,5-6,10H2,1-4H3
InChIKeyGYELNFIQBBEION-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.86
Rot. Bonds6

About 5-fluoro-7-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one

5-fluoro-7-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one (PubChem CID 156699040) has the molecular formula C15H21FN2O3Si and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-fluoro-7-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one.

Molecular Properties

Compound Name5-fluoro-7-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
PubChem CID156699040
Molecular FormulaC15H21FN2O3Si
Molecular Weight324.43 g/mol
Exact Mass324.13
IUPAC Name5-fluoro-7-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
SMILESCOc1cc(F)c2c(=O)n(COCC[Si](C)(C)C)cnc2c1
InChIInChI=1S/C15H21FN2O3Si/c1-20-11-7-12(16)14-13(8-11)17-9-18(15(14)19)10-21-5-6-22(2,3)4/h7-9H,5-6,10H2,1-4H3
InChIKeyGYELNFIQBBEION-UHFFFAOYSA-N
XLogP2.86
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-fluoro-7-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one 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-[(5,7-difluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 66599822
7-chloro-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one
CID 131736065
2-[(5,6-dimethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 67292375
2-[(6-fluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141393470
6-(4-fluorophenyl)-8-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 90258343
2-[(5,6-dichlorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58860919
7-cyclopropyl-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one
CID 131736066
2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 172631194
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943
methyl 6-amino-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 169304257
3-(3-chloropropyl)-5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
CID 70202013
2-[1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]ethyl]isoindole-1,3-dione
CID 175566095

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The IUPAC name of 5-fluoro-7-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one (CID 156699040) is 5-fluoro-7-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one.
What is the SMILES notation for 5-fluoro-7-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The canonical SMILES for 5-fluoro-7-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one is COc1cc(F)c2c(=O)n(COCC[Si](C)(C)C)cnc2c1.
What is the InChIKey of 5-fluoro-7-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The InChIKey is GYELNFIQBBEION-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3Si/c1-20-11-7-12(16)14-13(8-11)17-9-18(15(14)19)10-21-5-6-22(2,3)4/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 5-fluoro-7-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
5-fluoro-7-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one has a molecular weight of 324.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one is sourced from PubChem (CID 156699040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).