2-[[4-(4-methoxyphenyl)-10-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane

C22H28N4O2Si — CID 67362055

IUPAC2-[[4-(4-methoxyphenyl)-10-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ccc(-c2cc3c(ncc4c(C)ncn43)n2COCC[Si](C)(C)C)cc1
InChIInChI=1S/C22H28N4O2Si/c1-16-21-13-23-22-20(25(21)14-24-16)12-19(17-6-8-18(27-2)9-7-17)26(22)15-28-10-11-29(3,4)5/h6-9,12-14H,10-11,15H2,1-5H3
InChIKeyRESDEMOMPBYNJO-UHFFFAOYSA-N
MW408.58 g/mol
LogP4.98
Rot. Bonds7

About 2-[[4-(4-methoxyphenyl)-10-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane

2-[[4-(4-methoxyphenyl)-10-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane (PubChem CID 67362055) has the molecular formula C22H28N4O2Si and a molecular weight of 408.58 g/mol. Its IUPAC name is 2-[[4-(4-methoxyphenyl)-10-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(4-methoxyphenyl)-10-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane
PubChem CID67362055
Molecular FormulaC22H28N4O2Si
Molecular Weight408.58 g/mol
Exact Mass408.20
IUPAC Name2-[[4-(4-methoxyphenyl)-10-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ccc(-c2cc3c(ncc4c(C)ncn43)n2COCC[Si](C)(C)C)cc1
InChIInChI=1S/C22H28N4O2Si/c1-16-21-13-23-22-20(25(21)14-24-16)12-19(17-6-8-18(27-2)9-7-17)26(22)15-28-10-11-29(3,4)5/h6-9,12-14H,10-11,15H2,1-5H3
InChIKeyRESDEMOMPBYNJO-UHFFFAOYSA-N
XLogP4.98
TPSA53.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.58
LogP ≤ 54.98
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'}

Analyze 2-[[4-(4-methoxyphenyl)-10-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane with MolForge

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Related Compounds

azane;trimethyl-[2-[[4-(4-methylphenyl)-12-pyrrolidin-1-yl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl]silane
CID 67362929
2-[(2,5-diphenylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 102185967
4-[2-(4-cyanophenyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]benzonitrile
CID 46895438
2-[[2,5-bis[4-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 46895437
2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 58368344
2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 166110620
2-[(2-chloro-6-methylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane
CID 164881290
2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 21081676
4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]pyridine-2-carbonitrile
CID 169097833
2-[[4-chloro-6-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethyl-λ4-sulfane
CID 171513234
2-[[5-bromo-2-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 174083889
2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 157374933

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxyphenyl)-10-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(4-methoxyphenyl)-10-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane (CID 67362055) is 2-[[4-(4-methoxyphenyl)-10-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(4-methoxyphenyl)-10-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(4-methoxyphenyl)-10-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane is COc1ccc(-c2cc3c(ncc4c(C)ncn43)n2COCC[Si](C)(C)C)cc1.
What is the InChIKey of 2-[[4-(4-methoxyphenyl)-10-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is RESDEMOMPBYNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2Si/c1-16-21-13-23-22-20(25(21)14-24-16)12-19(17-6-8-18(27-2)9-7-17)26(22)15-28-10-11-29(3,4)5/h6-9,12-14H,10-11,15H2,1-5H3.
What are the key properties of 2-[[4-(4-methoxyphenyl)-10-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(4-methoxyphenyl)-10-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 408.58 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxyphenyl)-10-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 67362055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).