ethyl 9-(2-trimethylsilylethoxymethyl)pyrido[3,4-b]indole-4-carboxylate

C20H26N2O3Si — CID 10809190

IUPACethyl 9-(2-trimethylsilylethoxymethyl)pyrido[3,4-b]indole-4-carboxylate
SMILESCCOC(=O)c1cncc2c1c1ccccc1n2COCC[Si](C)(C)C
InChIInChI=1S/C20H26N2O3Si/c1-5-25-20(23)16-12-21-13-18-19(16)15-8-6-7-9-17(15)22(18)14-24-10-11-26(2,3)4/h6-9,12-13H,5,10-11,14H2,1-4H3
InChIKeyLVFHVYNNTWGQRC-UHFFFAOYSA-N
MW370.53 g/mol
LogP4.68
Rot. Bonds7

About ethyl 9-(2-trimethylsilylethoxymethyl)pyrido[3,4-b]indole-4-carboxylate

ethyl 9-(2-trimethylsilylethoxymethyl)pyrido[3,4-b]indole-4-carboxylate (PubChem CID 10809190) has the molecular formula C20H26N2O3Si and a molecular weight of 370.53 g/mol. Its IUPAC name is ethyl 9-(2-trimethylsilylethoxymethyl)pyrido[3,4-b]indole-4-carboxylate.

Molecular Properties

Compound Nameethyl 9-(2-trimethylsilylethoxymethyl)pyrido[3,4-b]indole-4-carboxylate
PubChem CID10809190
Molecular FormulaC20H26N2O3Si
Molecular Weight370.53 g/mol
Exact Mass370.17
IUPAC Nameethyl 9-(2-trimethylsilylethoxymethyl)pyrido[3,4-b]indole-4-carboxylate
SMILESCCOC(=O)c1cncc2c1c1ccccc1n2COCC[Si](C)(C)C
InChIInChI=1S/C20H26N2O3Si/c1-5-25-20(23)16-12-21-13-18-19(16)15-8-6-7-9-17(15)22(18)14-24-10-11-26(2,3)4/h6-9,12-13H,5,10-11,14H2,1-4H3
InChIKeyLVFHVYNNTWGQRC-UHFFFAOYSA-N
XLogP4.68
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 54.68
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

2-[[4-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]methoxy]ethyl-trimethylsilane
CID 10621459
2-[(4-cyclohexylpyrido[3,4-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 10571849
2-methyl-1,3-dioxo-6-(2-trimethylsilylethoxymethyl)pyrrolo[3,4-c]carbazole-4-carbonyl chloride
CID 10983096
ethyl 5-(9-methylcarbazol-2-yl)-2-(2-trimethylsilylethoxymethyl)triazole-4-carboxylate
CID 156678798
ethyl 4,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxylate
CID 59180122
ethyl 3-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 123609397
ethyl 5-[ethoxy(phenyl)phosphoryl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxylate
CID 135063583
ethyl 2-methyl-1-(2-trimethylsilylethoxymethyl)thieno[2,3-d]imidazole-5-carboxylate
CID 22387741
2-[2-ethoxycarbonyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-oxoacetic acid
CID 177253844
ethyl 2-[hydroxy-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 159174881
ethyl 1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 69370657
2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid
CID 22170985

Frequently Asked Questions

What is the IUPAC name of ethyl 9-(2-trimethylsilylethoxymethyl)pyrido[3,4-b]indole-4-carboxylate?
The IUPAC name of ethyl 9-(2-trimethylsilylethoxymethyl)pyrido[3,4-b]indole-4-carboxylate (CID 10809190) is ethyl 9-(2-trimethylsilylethoxymethyl)pyrido[3,4-b]indole-4-carboxylate.
What is the SMILES notation for ethyl 9-(2-trimethylsilylethoxymethyl)pyrido[3,4-b]indole-4-carboxylate?
The canonical SMILES for ethyl 9-(2-trimethylsilylethoxymethyl)pyrido[3,4-b]indole-4-carboxylate is CCOC(=O)c1cncc2c1c1ccccc1n2COCC[Si](C)(C)C.
What is the InChIKey of ethyl 9-(2-trimethylsilylethoxymethyl)pyrido[3,4-b]indole-4-carboxylate?
The InChIKey is LVFHVYNNTWGQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3Si/c1-5-25-20(23)16-12-21-13-18-19(16)15-8-6-7-9-17(15)22(18)14-24-10-11-26(2,3)4/h6-9,12-13H,5,10-11,14H2,1-4H3.
What are the key properties of ethyl 9-(2-trimethylsilylethoxymethyl)pyrido[3,4-b]indole-4-carboxylate?
ethyl 9-(2-trimethylsilylethoxymethyl)pyrido[3,4-b]indole-4-carboxylate has a molecular weight of 370.53 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-(2-trimethylsilylethoxymethyl)pyrido[3,4-b]indole-4-carboxylate is sourced from PubChem (CID 10809190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).