ethyl 9H-pyrido[3,4-b]indole-1-carboxylate

C14H12N2O2 — CID 11701473

IUPACethyl 9H-pyrido[3,4-b]indole-1-carboxylate
SMILESCCOC(=O)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C14H12N2O2/c1-2-18-14(17)13-12-10(7-8-15-13)9-5-3-4-6-11(9)16-12/h3-8,16H,2H2,1H3
InChIKeyCFXOOHNXLDSCHT-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.89
Rot. Bonds2

About ethyl 9H-pyrido[3,4-b]indole-1-carboxylate

ethyl 9H-pyrido[3,4-b]indole-1-carboxylate (PubChem CID 11701473) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 9H-pyrido[3,4-b]indole-1-carboxylate.

Molecular Properties

Compound Nameethyl 9H-pyrido[3,4-b]indole-1-carboxylate
PubChem CID11701473
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Nameethyl 9H-pyrido[3,4-b]indole-1-carboxylate
SMILESCCOC(=O)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C14H12N2O2/c1-2-18-14(17)13-12-10(7-8-15-13)9-5-3-4-6-11(9)16-12/h3-8,16H,2H2,1H3
InChIKeyCFXOOHNXLDSCHT-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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Frequently Asked Questions

What is the IUPAC name of ethyl 9H-pyrido[3,4-b]indole-1-carboxylate?
The IUPAC name of ethyl 9H-pyrido[3,4-b]indole-1-carboxylate (CID 11701473) is ethyl 9H-pyrido[3,4-b]indole-1-carboxylate.
What is the SMILES notation for ethyl 9H-pyrido[3,4-b]indole-1-carboxylate?
The canonical SMILES for ethyl 9H-pyrido[3,4-b]indole-1-carboxylate is CCOC(=O)c1nccc2c1[nH]c1ccccc12.
What is the InChIKey of ethyl 9H-pyrido[3,4-b]indole-1-carboxylate?
The InChIKey is CFXOOHNXLDSCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-2-18-14(17)13-12-10(7-8-15-13)9-5-3-4-6-11(9)16-12/h3-8,16H,2H2,1H3.
What are the key properties of ethyl 9H-pyrido[3,4-b]indole-1-carboxylate?
ethyl 9H-pyrido[3,4-b]indole-1-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 9H-pyrido[3,4-b]indole-1-carboxylate is sourced from PubChem (CID 11701473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).