6-(4-fluorophenyl)-8-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one

C21H25FN2O3Si — CID 90258343

IUPAC6-(4-fluorophenyl)-8-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
SMILESCOc1cc(-c2ccc(F)cc2)cc2c(=O)n(COCC[Si](C)(C)C)cnc12
InChIInChI=1S/C21H25FN2O3Si/c1-26-19-12-16(15-5-7-17(22)8-6-15)11-18-20(19)23-13-24(21(18)25)14-27-9-10-28(2,3)4/h5-8,11-13H,9-10,14H2,1-4H3
InChIKeyRMUCOKQKFZLLHF-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.52
Rot. Bonds7

About 6-(4-fluorophenyl)-8-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one

6-(4-fluorophenyl)-8-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one (PubChem CID 90258343) has the molecular formula C21H25FN2O3Si and a molecular weight of 400.53 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-8-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-8-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
PubChem CID90258343
Molecular FormulaC21H25FN2O3Si
Molecular Weight400.53 g/mol
Exact Mass400.16
IUPAC Name6-(4-fluorophenyl)-8-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
SMILESCOc1cc(-c2ccc(F)cc2)cc2c(=O)n(COCC[Si](C)(C)C)cnc12
InChIInChI=1S/C21H25FN2O3Si/c1-26-19-12-16(15-5-7-17(22)8-6-15)11-18-20(19)23-13-24(21(18)25)14-27-9-10-28(2,3)4/h5-8,11-13H,9-10,14H2,1-4H3
InChIKeyRMUCOKQKFZLLHF-UHFFFAOYSA-N
XLogP4.52
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.52
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'}

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Related Compounds

6-[2-(1H-imidazol-2-yl)-3-pyridinyl]-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 90257734
8-hydroxy-6-(5-methyl-1,3-thiazol-2-yl)-3H-quinazolin-4-one;6-(5-methyl-1,3-thiazol-2-yl)-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 136608402
5-fluoro-7-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156699040
2-[(6-fluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141393470
7-chloro-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one
CID 131736065
2-[[4-[6-(4-fluorophenyl)naphthalen-2-yl]sulfonylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 68902357
8-hydroxy-6-[2-(2-methylsulfonylethyl)phenyl]-3H-quinazolin-4-one;6-[2-(2-methylsulfonylethyl)phenyl]-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one;2,2,2-trifluoroacetic acid
CID 136608437
2-[(5,6-dimethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 67292375
2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810657
7-cyclopropyl-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one
CID 131736066
8-hydroxy-6-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethoxymethyl]phenyl]-3H-quinazolin-4-one;2,2,2-trifluoroacetic acid;6-[2-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethoxymethyl]phenyl]-8-(2-trimethylsilylethoxymethoxy)-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 136608453
5-methoxy-3-(2-trimethylsilylethoxymethyl)-1H-pyrimidine-2,4-dione
CID 67594826

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-8-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The IUPAC name of 6-(4-fluorophenyl)-8-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one (CID 90258343) is 6-(4-fluorophenyl)-8-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-8-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-8-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one is COc1cc(-c2ccc(F)cc2)cc2c(=O)n(COCC[Si](C)(C)C)cnc12.
What is the InChIKey of 6-(4-fluorophenyl)-8-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The InChIKey is RMUCOKQKFZLLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3Si/c1-26-19-12-16(15-5-7-17(22)8-6-15)11-18-20(19)23-13-24(21(18)25)14-27-9-10-28(2,3)4/h5-8,11-13H,9-10,14H2,1-4H3.
What are the key properties of 6-(4-fluorophenyl)-8-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
6-(4-fluorophenyl)-8-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one has a molecular weight of 400.53 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-8-methoxy-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one is sourced from PubChem (CID 90258343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).