diethyl 10H-[1]benzoselenolo[3,2-b]indole-2,7-dicarboxylate

C20H17NO4Se — CID 14976421

IUPACdiethyl 10H-[1]benzoselenolo[3,2-b]indole-2,7-dicarboxylate
SMILESCCOC(=O)c1ccc2c(c1)[nH]c1c3ccc(C(=O)OCC)cc3[se]c21
InChIInChI=1S/C20H17NO4Se/c1-3-24-19(22)11-5-7-13-15(9-11)21-17-14-8-6-12(20(23)25-4-2)10-16(14)26-18(13)17/h5-10,21H,3-4H2,1-2H3
InChIKeyRAOGILXYGVZYKT-UHFFFAOYSA-N
MW414.32 g/mol
LogP3.88
Rot. Bonds4

About diethyl 10H-[1]benzoselenolo[3,2-b]indole-2,7-dicarboxylate

diethyl 10H-[1]benzoselenolo[3,2-b]indole-2,7-dicarboxylate (PubChem CID 14976421) has the molecular formula C20H17NO4Se and a molecular weight of 414.32 g/mol. Its IUPAC name is diethyl 10H-[1]benzoselenolo[3,2-b]indole-2,7-dicarboxylate.

Molecular Properties

Compound Namediethyl 10H-[1]benzoselenolo[3,2-b]indole-2,7-dicarboxylate
PubChem CID14976421
Molecular FormulaC20H17NO4Se
Molecular Weight414.32 g/mol
Exact Mass415.03
IUPAC Namediethyl 10H-[1]benzoselenolo[3,2-b]indole-2,7-dicarboxylate
SMILESCCOC(=O)c1ccc2c(c1)[nH]c1c3ccc(C(=O)OCC)cc3[se]c21
InChIInChI=1S/C20H17NO4Se/c1-3-24-19(22)11-5-7-13-15(9-11)21-17-14-8-6-12(20(23)25-4-2)10-16(14)26-18(13)17/h5-10,21H,3-4H2,1-2H3
InChIKeyRAOGILXYGVZYKT-UHFFFAOYSA-N
XLogP3.88
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.32
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 7-ethyl-[1]benzoselenolo[3,2-b][1]benzoselenole-2-carboxylate
CID 58121725
ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate
CID 165353814
ethyl 4-oxo-2-phenyl-1H-quinoline-7-carboxylate
CID 155209422
ethyl 3-formyl-2-propan-2-yl-1H-indole-6-carboxylate
CID 59762423
ethyl 2-oxo-1H-quinoline-7-carboxylate
CID 15091487
diethyl benzene-1,3-dicarboxylate
CID 12491
6-O-ethyl 3-O-methyl 2-(trifluoromethyl)-1H-indole-3,6-dicarboxylate
CID 141445399
diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
CID 22025388
ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
CID 7453721
ethyl 8-carbamoyl-5-(2-fluorophenyl)-9H-carbazole-2-carboxylate
CID 59375158
ethyl 2,4-dioxo-3-prop-2-enyl-1H-quinazoline-7-carboxylate
CID 53243737
ethyl 4-fluorooxy-5H-pyrimido[5,4-b]indole-8-carboxylate
CID 142467597

Frequently Asked Questions

What is the IUPAC name of diethyl 10H-[1]benzoselenolo[3,2-b]indole-2,7-dicarboxylate?
The IUPAC name of diethyl 10H-[1]benzoselenolo[3,2-b]indole-2,7-dicarboxylate (CID 14976421) is diethyl 10H-[1]benzoselenolo[3,2-b]indole-2,7-dicarboxylate.
What is the SMILES notation for diethyl 10H-[1]benzoselenolo[3,2-b]indole-2,7-dicarboxylate?
The canonical SMILES for diethyl 10H-[1]benzoselenolo[3,2-b]indole-2,7-dicarboxylate is CCOC(=O)c1ccc2c(c1)[nH]c1c3ccc(C(=O)OCC)cc3[se]c21.
What is the InChIKey of diethyl 10H-[1]benzoselenolo[3,2-b]indole-2,7-dicarboxylate?
The InChIKey is RAOGILXYGVZYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4Se/c1-3-24-19(22)11-5-7-13-15(9-11)21-17-14-8-6-12(20(23)25-4-2)10-16(14)26-18(13)17/h5-10,21H,3-4H2,1-2H3.
What are the key properties of diethyl 10H-[1]benzoselenolo[3,2-b]indole-2,7-dicarboxylate?
diethyl 10H-[1]benzoselenolo[3,2-b]indole-2,7-dicarboxylate has a molecular weight of 414.32 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 10H-[1]benzoselenolo[3,2-b]indole-2,7-dicarboxylate is sourced from PubChem (CID 14976421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).