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

C22H24BrN3O2SSi — CID 153396896

IUPAC6-bromo-8-methyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
SMILESCc1cc(Br)cc2c(=O)n(COCC[Si](C)(C)C)c(-c3cc4ccsc4cn3)nc12
InChIInChI=1S/C22H24BrN3O2SSi/c1-14-9-16(23)11-17-20(14)25-21(18-10-15-5-7-29-19(15)12-24-18)26(22(17)27)13-28-6-8-30(2,3)4/h5,7,9-12H,6,8,13H2,1-4H3
InChIKeyMSBGEXONBWYXLC-UHFFFAOYSA-N
MW502.51 g/mol
LogP6.06
Rot. Bonds6

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

6-bromo-8-methyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one (PubChem CID 153396896) has the molecular formula C22H24BrN3O2SSi and a molecular weight of 502.51 g/mol. Its IUPAC name is 6-bromo-8-methyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-8-methyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
PubChem CID153396896
Molecular FormulaC22H24BrN3O2SSi
Molecular Weight502.51 g/mol
Exact Mass501.05
IUPAC Name6-bromo-8-methyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
SMILESCc1cc(Br)cc2c(=O)n(COCC[Si](C)(C)C)c(-c3cc4ccsc4cn3)nc12
InChIInChI=1S/C22H24BrN3O2SSi/c1-14-9-16(23)11-17-20(14)25-21(18-10-15-5-7-29-19(15)12-24-18)26(22(17)27)13-28-6-8-30(2,3)4/h5,7,9-12H,6,8,13H2,1-4H3
InChIKeyMSBGEXONBWYXLC-UHFFFAOYSA-N
XLogP6.06
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.51
LogP ≤ 56.06
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-ethyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 153396776
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-[(5-bromo-7-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58181208
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
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
trimethyl-[2-(thieno[2,3-d]pyrazol-1-ylmethoxy)ethyl]silane
CID 141109595
2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
CID 86642309

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The IUPAC name of 6-bromo-8-methyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one (CID 153396896) is 6-bromo-8-methyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one.
What is the SMILES notation for 6-bromo-8-methyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The canonical SMILES for 6-bromo-8-methyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one is Cc1cc(Br)cc2c(=O)n(COCC[Si](C)(C)C)c(-c3cc4ccsc4cn3)nc12.
What is the InChIKey of 6-bromo-8-methyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The InChIKey is MSBGEXONBWYXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O2SSi/c1-14-9-16(23)11-17-20(14)25-21(18-10-15-5-7-29-19(15)12-24-18)26(22(17)27)13-28-6-8-30(2,3)4/h5,7,9-12H,6,8,13H2,1-4H3.
What are the key properties of 6-bromo-8-methyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
6-bromo-8-methyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one has a molecular weight of 502.51 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one is sourced from PubChem (CID 153396896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).