diethyl pyrido[2,3-b]indole-3,9-dicarboxylate

C17H16N2O4 — CID 11723020

IUPACdiethyl pyrido[2,3-b]indole-3,9-dicarboxylate
SMILESCCOC(=O)c1cnc2c(c1)c1ccccc1n2C(=O)OCC
InChIInChI=1S/C17H16N2O4/c1-3-22-16(20)11-9-13-12-7-5-6-8-14(12)19(15(13)18-10-11)17(21)23-4-2/h5-10H,3-4H2,1-2H3
InChIKeyWEYYDBILOHGLGG-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.37
Rot. Bonds3

About diethyl pyrido[2,3-b]indole-3,9-dicarboxylate

diethyl pyrido[2,3-b]indole-3,9-dicarboxylate (PubChem CID 11723020) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is diethyl pyrido[2,3-b]indole-3,9-dicarboxylate.

Molecular Properties

Compound Namediethyl pyrido[2,3-b]indole-3,9-dicarboxylate
PubChem CID11723020
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Namediethyl pyrido[2,3-b]indole-3,9-dicarboxylate
SMILESCCOC(=O)c1cnc2c(c1)c1ccccc1n2C(=O)OCC
InChIInChI=1S/C17H16N2O4/c1-3-22-16(20)11-9-13-12-7-5-6-8-14(12)19(15(13)18-10-11)17(21)23-4-2/h5-10H,3-4H2,1-2H3
InChIKeyWEYYDBILOHGLGG-UHFFFAOYSA-N
XLogP3.37
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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ethyl 1-benzoyl-3-bromoindole-2-carboxylate
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ethyl 2,3-dimethylthieno[2,3-b]pyridine-5-carboxylate
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CID 169159897
ethyl 3-amino-2-benzoylindole-1-carboxylate
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diethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate
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1-O-tert-butyl 2-O-ethyl 3-hydroxyindole-1,2-dicarboxylate
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ethyl 2-carbazol-9-ylprop-2-enoate
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ethyl 9-(4-fluorophenyl)pyrido[3,4-b]indole-3-carboxylate;hydrobromide
CID 46907522
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Frequently Asked Questions

What is the IUPAC name of diethyl pyrido[2,3-b]indole-3,9-dicarboxylate?
The IUPAC name of diethyl pyrido[2,3-b]indole-3,9-dicarboxylate (CID 11723020) is diethyl pyrido[2,3-b]indole-3,9-dicarboxylate.
What is the SMILES notation for diethyl pyrido[2,3-b]indole-3,9-dicarboxylate?
The canonical SMILES for diethyl pyrido[2,3-b]indole-3,9-dicarboxylate is CCOC(=O)c1cnc2c(c1)c1ccccc1n2C(=O)OCC.
What is the InChIKey of diethyl pyrido[2,3-b]indole-3,9-dicarboxylate?
The InChIKey is WEYYDBILOHGLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-3-22-16(20)11-9-13-12-7-5-6-8-14(12)19(15(13)18-10-11)17(21)23-4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of diethyl pyrido[2,3-b]indole-3,9-dicarboxylate?
diethyl pyrido[2,3-b]indole-3,9-dicarboxylate has a molecular weight of 312.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl pyrido[2,3-b]indole-3,9-dicarboxylate is sourced from PubChem (CID 11723020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).