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

C21H23N3O2SSi — CID 153396856

IUPAC2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
SMILESC[Si](C)(C)CCOCn1c(-c2cc3ccsc3cn2)nc2ccccc2c1=O
InChIInChI=1S/C21H23N3O2SSi/c1-28(2,3)11-9-26-14-24-20(18-12-15-8-10-27-19(15)13-22-18)23-17-7-5-4-6-16(17)21(24)25/h4-8,10,12-13H,9,11,14H2,1-3H3
InChIKeyHRMKUKQRWPNNRM-UHFFFAOYSA-N
MW409.59 g/mol
LogP4.99
Rot. Bonds6

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

2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one (PubChem CID 153396856) has the molecular formula C21H23N3O2SSi and a molecular weight of 409.59 g/mol. Its IUPAC name is 2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
PubChem CID153396856
Molecular FormulaC21H23N3O2SSi
Molecular Weight409.59 g/mol
Exact Mass409.13
IUPAC Name2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
SMILESC[Si](C)(C)CCOCn1c(-c2cc3ccsc3cn2)nc2ccccc2c1=O
InChIInChI=1S/C21H23N3O2SSi/c1-28(2,3)11-9-26-14-24-20(18-12-15-8-10-27-19(15)13-22-18)23-17-7-5-4-6-16(17)21(24)25/h4-8,10,12-13H,9,11,14H2,1-3H3
InChIKeyHRMKUKQRWPNNRM-UHFFFAOYSA-N
XLogP4.99
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.59
LogP ≤ 54.99
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
6-bromo-8-ethyl-2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 153396776
2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156800676
2,5-dimethyl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 70196598
2-[(2,5-diphenylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 102185967
trimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane
CID 167445677
trimethyl-[2-phenyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]silane
CID 14924368
tert-butyl 3-methyl-4-[4-oxo-2-pyridin-2-yl-3-(2-trimethylsilylethoxymethyl)thieno[3,2-d]pyrimidin-6-yl]pyrazole-1-carboxylate
CID 71147034
7-chloro-10-(2-trimethylsilylethoxymethyl)benzo[b][1,8]naphthyridin-5-one
CID 21135820
2-(4-methoxyphenyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]quinazolin-4-one
CID 2041529
trimethyl-[2-(thieno[2,3-d]pyrazol-1-ylmethoxy)ethyl]silane
CID 141109595
2-(2,4-dichlorophenyl)-3-[2-[2-(4-methylphenoxy)ethoxy]ethyl]quinazolin-4-one
CID 2298240

Frequently Asked Questions

What is the IUPAC name of 2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The IUPAC name of 2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one (CID 153396856) is 2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one.
What is the SMILES notation for 2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The canonical SMILES for 2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one is C[Si](C)(C)CCOCn1c(-c2cc3ccsc3cn2)nc2ccccc2c1=O.
What is the InChIKey of 2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
The InChIKey is HRMKUKQRWPNNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2SSi/c1-28(2,3)11-9-26-14-24-20(18-12-15-8-10-27-19(15)13-22-18)23-17-7-5-4-6-16(17)21(24)25/h4-8,10,12-13H,9,11,14H2,1-3H3.
What are the key properties of 2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one?
2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one has a molecular weight of 409.59 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[2,3-c]pyridin-5-yl-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one is sourced from PubChem (CID 153396856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).