6-bromo-8-ethyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one

C23H26BrN3O2SSi — CID 153396776

IUPAC6-bromo-8-ethyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
SMILESCCc1cc(Br)cc2c(=O)n(COCC[Si](C)(C)C)c(-c3cc4ccsc4cn3)nc12
InChIInChI=1S/C23H26BrN3O2SSi/c1-5-15-10-17(24)12-18-21(15)26-22(19-11-16-6-8-30-20(16)13-25-19)27(23(18)28)14-29-7-9-31(2,3)4/h6,8,10-13H,5,7,9,14H2,1-4H3
InChIKeyXTUUQAVKSOVLNR-UHFFFAOYSA-N
MW516.54 g/mol
LogP6.31
Rot. Bonds7

About 6-bromo-8-ethyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one

6-bromo-8-ethyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one (PubChem CID 153396776) has the molecular formula C23H26BrN3O2SSi and a molecular weight of 516.54 g/mol. Its IUPAC name is 6-bromo-8-ethyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-8-ethyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
PubChem CID153396776
Molecular FormulaC23H26BrN3O2SSi
Molecular Weight516.54 g/mol
Exact Mass515.07
IUPAC Name6-bromo-8-ethyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
SMILESCCc1cc(Br)cc2c(=O)n(COCC[Si](C)(C)C)c(-c3cc4ccsc4cn3)nc12
InChIInChI=1S/C23H26BrN3O2SSi/c1-5-15-10-17(24)12-18-21(15)26-22(19-11-16-6-8-30-20(16)13-25-19)27(23(18)28)14-29-7-9-31(2,3)4/h6,8,10-13H,5,7,9,14H2,1-4H3
InChIKeyXTUUQAVKSOVLNR-UHFFFAOYSA-N
XLogP6.31
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.54
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-bromo-8-methyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 153396896
2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 153396856
2-[[2-(4-bromo-2-pyridinyl)-4,5-dimethylimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140796375
2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156800676
4-(2-trimethylsilylethoxymethyl)thieno[3,2-b]pyrrole-5-carboxylic acid
CID 59648587
2-[2-(4-bromo-2,6-dichlorophenyl)triazol-4-yl]-1-(2-trimethylsilylethoxymethyl)imidazole-4,5-dicarbonitrile
CID 19778355
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
6-bromo-1,5-dimethyl-3-(2-trimethylsilylethoxymethyl)pyrimidine-2,4-dione
CID 123772393
4,6-dibromo-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one
CID 140829624
9-(4-bromophenyl)-2-chloro-6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-3-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-f][1,7]naphthyridin-7-one
CID 162426615
7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one
CID 21135820
trimethyl-[2-(thieno[2,3-d]pyrazol-1-ylmethoxy)ethyl]silane
CID 141109595

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-ethyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The IUPAC name of 6-bromo-8-ethyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one (CID 153396776) is 6-bromo-8-ethyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one.
What is the SMILES notation for 6-bromo-8-ethyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The canonical SMILES for 6-bromo-8-ethyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one is CCc1cc(Br)cc2c(=O)n(COCC[Si](C)(C)C)c(-c3cc4ccsc4cn3)nc12.
What is the InChIKey of 6-bromo-8-ethyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The InChIKey is XTUUQAVKSOVLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN3O2SSi/c1-5-15-10-17(24)12-18-21(15)26-22(19-11-16-6-8-30-20(16)13-25-19)27(23(18)28)14-29-7-9-31(2,3)4/h6,8,10-13H,5,7,9,14H2,1-4H3.
What are the key properties of 6-bromo-8-ethyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
6-bromo-8-ethyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one has a molecular weight of 516.54 g/mol, XLogP of 6.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-ethyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one is sourced from PubChem (CID 153396776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).