ethyl 9H-pyrido[4,3-b]indole-6-carboxylate

C14H12N2O2 — CID 171057637

IUPACethyl 9H-pyrido[4,3-b]indole-6-carboxylate
SMILESCCOC(=O)C1=C2N=c3ccncc3=C2CC=C1
InChIInChI=1S/C14H12N2O2/c1-2-18-14(17)10-5-3-4-9-11-8-15-7-6-12(11)16-13(9)10/h3,5-8H,2,4H2,1H3
InChIKeyICGLLPXMCJEZDD-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.64
Rot. Bonds2

About ethyl 9H-pyrido[4,3-b]indole-6-carboxylate

ethyl 9H-pyrido[4,3-b]indole-6-carboxylate (PubChem CID 171057637) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 9H-pyrido[4,3-b]indole-6-carboxylate.

Molecular Properties

Compound Nameethyl 9H-pyrido[4,3-b]indole-6-carboxylate
PubChem CID171057637
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Nameethyl 9H-pyrido[4,3-b]indole-6-carboxylate
SMILESCCOC(=O)C1=C2N=c3ccncc3=C2CC=C1
InChIInChI=1S/C14H12N2O2/c1-2-18-14(17)10-5-3-4-9-11-8-15-7-6-12(11)16-13(9)10/h3,5-8H,2,4H2,1H3
InChIKeyICGLLPXMCJEZDD-UHFFFAOYSA-N
XLogP0.64
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 9H-pyrido[4,3-b]indole-6-carboxylate?
The IUPAC name of ethyl 9H-pyrido[4,3-b]indole-6-carboxylate (CID 171057637) is ethyl 9H-pyrido[4,3-b]indole-6-carboxylate.
What is the SMILES notation for ethyl 9H-pyrido[4,3-b]indole-6-carboxylate?
The canonical SMILES for ethyl 9H-pyrido[4,3-b]indole-6-carboxylate is CCOC(=O)C1=C2N=c3ccncc3=C2CC=C1.
What is the InChIKey of ethyl 9H-pyrido[4,3-b]indole-6-carboxylate?
The InChIKey is ICGLLPXMCJEZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-2-18-14(17)10-5-3-4-9-11-8-15-7-6-12(11)16-13(9)10/h3,5-8H,2,4H2,1H3.
What are the key properties of ethyl 9H-pyrido[4,3-b]indole-6-carboxylate?
ethyl 9H-pyrido[4,3-b]indole-6-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9H-pyrido[4,3-b]indole-6-carboxylate is sourced from PubChem (CID 171057637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).