ethyl 4-ethoxycarbonyloxythieno[2,3-a]carbazole-10-carboxylate

C20H17NO5S — CID 11101024

IUPACethyl 4-ethoxycarbonyloxythieno[2,3-a]carbazole-10-carboxylate
SMILESCCOC(=O)Oc1cc2c3ccccc3n(C(=O)OCC)c2c2sccc12
InChIInChI=1S/C20H17NO5S/c1-3-24-19(22)21-15-8-6-5-7-12(15)14-11-16(26-20(23)25-4-2)13-9-10-27-18(13)17(14)21/h5-11H,3-4H2,1-2H3
InChIKeyWRFUYOWSKBNHCQ-UHFFFAOYSA-N
MW383.43 g/mol
LogP5.55
Rot. Bonds3

About ethyl 4-ethoxycarbonyloxythieno[2,3-a]carbazole-10-carboxylate

ethyl 4-ethoxycarbonyloxythieno[2,3-a]carbazole-10-carboxylate (PubChem CID 11101024) has the molecular formula C20H17NO5S and a molecular weight of 383.43 g/mol. Its IUPAC name is ethyl 4-ethoxycarbonyloxythieno[2,3-a]carbazole-10-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethoxycarbonyloxythieno[2,3-a]carbazole-10-carboxylate
PubChem CID11101024
Molecular FormulaC20H17NO5S
Molecular Weight383.43 g/mol
Exact Mass383.08
IUPAC Nameethyl 4-ethoxycarbonyloxythieno[2,3-a]carbazole-10-carboxylate
SMILESCCOC(=O)Oc1cc2c3ccccc3n(C(=O)OCC)c2c2sccc12
InChIInChI=1S/C20H17NO5S/c1-3-24-19(22)21-15-8-6-5-7-12(15)14-11-16(26-20(23)25-4-2)13-9-10-27-18(13)17(14)21/h5-11H,3-4H2,1-2H3
InChIKeyWRFUYOWSKBNHCQ-UHFFFAOYSA-N
XLogP5.55
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.43
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-ethoxycarbonyloxy-1-phenylcarbazole-9-carboxylate
CID 10092561
ethyl 2-ethoxycarbonyloxy-3-(2-phenylethynyl)indole-1-carboxylate
CID 10970863
ethyl 2-(4-ethoxycarbonyloxyphenyl)-4-oxoquinoline-1-carboxylate
CID 11596063
(4-ethoxycarbonyloxyfuran-3-yl) ethyl carbonate
CID 70484352
ethyl 5-oxo-6H-indolo[3,2-c]isoquinoline-11-carboxylate
CID 11415518
diethyl pyrido[2,3-b]indole-3,9-dicarboxylate
CID 11723020
ethyl 3-amino-2-benzoylindole-1-carboxylate
CID 10638516
ethyl (2-methyl-1-propylindol-3-yl) carbonate
CID 91188926
ethyl 2-carbazol-9-ylprop-2-enoate
CID 23150324
ethyl 6-bromo-3-methoxy-2-methyl-1-phenylcarbazole-9-carboxylate
CID 10320900
(2-ethoxycarbonyloxyphenyl) propyl carbonate
CID 171768245
(3-ethoxycarbonyloxy-5,8-dioxonaphthalen-2-yl) ethyl carbonate
CID 70348479

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethoxycarbonyloxythieno[2,3-a]carbazole-10-carboxylate?
The IUPAC name of ethyl 4-ethoxycarbonyloxythieno[2,3-a]carbazole-10-carboxylate (CID 11101024) is ethyl 4-ethoxycarbonyloxythieno[2,3-a]carbazole-10-carboxylate.
What is the SMILES notation for ethyl 4-ethoxycarbonyloxythieno[2,3-a]carbazole-10-carboxylate?
The canonical SMILES for ethyl 4-ethoxycarbonyloxythieno[2,3-a]carbazole-10-carboxylate is CCOC(=O)Oc1cc2c3ccccc3n(C(=O)OCC)c2c2sccc12.
What is the InChIKey of ethyl 4-ethoxycarbonyloxythieno[2,3-a]carbazole-10-carboxylate?
The InChIKey is WRFUYOWSKBNHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5S/c1-3-24-19(22)21-15-8-6-5-7-12(15)14-11-16(26-20(23)25-4-2)13-9-10-27-18(13)17(14)21/h5-11H,3-4H2,1-2H3.
What are the key properties of ethyl 4-ethoxycarbonyloxythieno[2,3-a]carbazole-10-carboxylate?
ethyl 4-ethoxycarbonyloxythieno[2,3-a]carbazole-10-carboxylate has a molecular weight of 383.43 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethoxycarbonyloxythieno[2,3-a]carbazole-10-carboxylate is sourced from PubChem (CID 11101024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).