ethyl 5H-pyrido[4,3-b]indole-3-carboxylate

C14H12N2O2 — CID 15260368

IUPACethyl 5H-pyrido[4,3-b]indole-3-carboxylate
SMILESCCOC(=O)c1cc2[nH]c3ccccc3c2cn1
InChIInChI=1S/C14H12N2O2/c1-2-18-14(17)13-7-12-10(8-15-13)9-5-3-4-6-11(9)16-12/h3-8,16H,2H2,1H3
InChIKeyZLGYHOPVKSCMFA-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.89
Rot. Bonds2

About ethyl 5H-pyrido[4,3-b]indole-3-carboxylate

ethyl 5H-pyrido[4,3-b]indole-3-carboxylate (PubChem CID 15260368) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 5H-pyrido[4,3-b]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5H-pyrido[4,3-b]indole-3-carboxylate
PubChem CID15260368
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Nameethyl 5H-pyrido[4,3-b]indole-3-carboxylate
SMILESCCOC(=O)c1cc2[nH]c3ccccc3c2cn1
InChIInChI=1S/C14H12N2O2/c1-2-18-14(17)13-7-12-10(8-15-13)9-5-3-4-6-11(9)16-12/h3-8,16H,2H2,1H3
InChIKeyZLGYHOPVKSCMFA-UHFFFAOYSA-N
XLogP2.89
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl Beta-Carboline-3-Carboxylate
CID 105078
Methyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 107704
Tropisetron
CID 656665
Methyl indole-3-carboxylate
CID 589098
Propyl beta-carboline-3-carboxylate
CID 123662
9H-Pyrido(3,4-b)indole-3-carboxylic acid
CID 173262
SB 203186
CID 3272300
Methyl 1-methyl-9H-pyrido(3,4-b)indole-3-carboxylate
CID 5291723
methyl 1H-indole-4-carboxylate
CID 2733668
methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate
CID 1265037
1,1-Dimethylethyl 9H-pyrido(3,4-b)indole-3-carboxylate
CID 124514
8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 1H-indole-3-carboxylate
CID 5595

Frequently Asked Questions

What is the IUPAC name of ethyl 5H-pyrido[4,3-b]indole-3-carboxylate?
The IUPAC name of ethyl 5H-pyrido[4,3-b]indole-3-carboxylate (CID 15260368) is ethyl 5H-pyrido[4,3-b]indole-3-carboxylate.
What is the SMILES notation for ethyl 5H-pyrido[4,3-b]indole-3-carboxylate?
The canonical SMILES for ethyl 5H-pyrido[4,3-b]indole-3-carboxylate is CCOC(=O)c1cc2[nH]c3ccccc3c2cn1.
What is the InChIKey of ethyl 5H-pyrido[4,3-b]indole-3-carboxylate?
The InChIKey is ZLGYHOPVKSCMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-2-18-14(17)13-7-12-10(8-15-13)9-5-3-4-6-11(9)16-12/h3-8,16H,2H2,1H3.
What are the key properties of ethyl 5H-pyrido[4,3-b]indole-3-carboxylate?
ethyl 5H-pyrido[4,3-b]indole-3-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5H-pyrido[4,3-b]indole-3-carboxylate is sourced from PubChem (CID 15260368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).