ethyl 2-(4-selanylidenequinolin-1-yl)acetate

C13H13NO2Se — CID 11109160

IUPACethyl 2-(4-selanylidenequinolin-1-yl)acetate
SMILESCCOC(=O)Cn1ccc(=[Se])c2ccccc21
InChIInChI=1S/C13H13NO2Se/c1-2-16-13(15)9-14-8-7-12(17)10-5-3-4-6-11(10)14/h3-8H,2,9H2,1H3
InChIKeyRNBXEYZCTLMDJQ-UHFFFAOYSA-N
MW294.21 g/mol
LogP1.90
Rot. Bonds3

About ethyl 2-(4-selanylidenequinolin-1-yl)acetate

ethyl 2-(4-selanylidenequinolin-1-yl)acetate (PubChem CID 11109160) has the molecular formula C13H13NO2Se and a molecular weight of 294.21 g/mol. Its IUPAC name is ethyl 2-(4-selanylidenequinolin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-selanylidenequinolin-1-yl)acetate
PubChem CID11109160
Molecular FormulaC13H13NO2Se
Molecular Weight294.21 g/mol
Exact Mass295.01
IUPAC Nameethyl 2-(4-selanylidenequinolin-1-yl)acetate
SMILESCCOC(=O)Cn1ccc(=[Se])c2ccccc21
InChIInChI=1S/C13H13NO2Se/c1-2-16-13(15)9-14-8-7-12(17)10-5-3-4-6-11(10)14/h3-8H,2,9H2,1H3
InChIKeyRNBXEYZCTLMDJQ-UHFFFAOYSA-N
XLogP1.90
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3-ethylindol-1-yl)acetate
CID 59177495
ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate
CID 63899087
ethyl 2-(4-methoxyindol-1-yl)acetate
CID 83162389
ethyl 2-(4-propan-2-yloxyindol-1-yl)acetate
CID 83162471
ethyl 2-(3-butanoylindol-1-yl)acetate
CID 4517747
methyl 1-(2-ethoxy-2-oxoethyl)indole-3-carboxylate
CID 654649
ethane;ethyl 2-(3-ethenylindol-1-yl)acetate
CID 145169068
ethyl 2-(3-benzylsulfanylindol-1-yl)acetate
CID 43949304
ethyl 2-[3-[(cyclopropylamino)methyl]indol-1-yl]acetate
CID 58005918
ethyl 2-[3-(2,2-dicyanoethenyl)-4-oxoquinolin-1-yl]acetate
CID 135010121
ethyl 2-[3-(pyrrolidin-1-ium-1-ylidenemethyl)indol-1-yl]acetate bromide
CID 12614677
ethyl 2-(6,7-diethoxy-4-oxoquinolin-1-yl)acetate
CID 50877332

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-selanylidenequinolin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-selanylidenequinolin-1-yl)acetate (CID 11109160) is ethyl 2-(4-selanylidenequinolin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-selanylidenequinolin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-selanylidenequinolin-1-yl)acetate is CCOC(=O)Cn1ccc(=[Se])c2ccccc21.
What is the InChIKey of ethyl 2-(4-selanylidenequinolin-1-yl)acetate?
The InChIKey is RNBXEYZCTLMDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2Se/c1-2-16-13(15)9-14-8-7-12(17)10-5-3-4-6-11(10)14/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 2-(4-selanylidenequinolin-1-yl)acetate?
ethyl 2-(4-selanylidenequinolin-1-yl)acetate has a molecular weight of 294.21 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-selanylidenequinolin-1-yl)acetate is sourced from PubChem (CID 11109160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).