ethyl 2-methyl-5H-pyrido[3,2-b]indole-4-carboxylate

C15H14N2O2 — CID 138968963

IUPACethyl 2-methyl-5H-pyrido[3,2-b]indole-4-carboxylate
SMILESCCOC(=O)c1cc(C)nc2c1[nH]c1ccccc12
InChIInChI=1S/C15H14N2O2/c1-3-19-15(18)11-8-9(2)16-13-10-6-4-5-7-12(10)17-14(11)13/h4-8,17H,3H2,1-2H3
InChIKeyMLTKQOBDYZPLRZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.20
Rot. Bonds2

About ethyl 2-methyl-5H-pyrido[3,2-b]indole-4-carboxylate

ethyl 2-methyl-5H-pyrido[3,2-b]indole-4-carboxylate (PubChem CID 138968963) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl 2-methyl-5H-pyrido[3,2-b]indole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5H-pyrido[3,2-b]indole-4-carboxylate
PubChem CID138968963
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Nameethyl 2-methyl-5H-pyrido[3,2-b]indole-4-carboxylate
SMILESCCOC(=O)c1cc(C)nc2c1[nH]c1ccccc12
InChIInChI=1S/C15H14N2O2/c1-3-19-15(18)11-8-9(2)16-13-10-6-4-5-7-12(10)17-14(11)13/h4-8,17H,3H2,1-2H3
InChIKeyMLTKQOBDYZPLRZ-UHFFFAOYSA-N
XLogP3.20
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5H-pyrido[3,2-b]indole-4-carboxylate?
The IUPAC name of ethyl 2-methyl-5H-pyrido[3,2-b]indole-4-carboxylate (CID 138968963) is ethyl 2-methyl-5H-pyrido[3,2-b]indole-4-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5H-pyrido[3,2-b]indole-4-carboxylate?
The canonical SMILES for ethyl 2-methyl-5H-pyrido[3,2-b]indole-4-carboxylate is CCOC(=O)c1cc(C)nc2c1[nH]c1ccccc12.
What is the InChIKey of ethyl 2-methyl-5H-pyrido[3,2-b]indole-4-carboxylate?
The InChIKey is MLTKQOBDYZPLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-3-19-15(18)11-8-9(2)16-13-10-6-4-5-7-12(10)17-14(11)13/h4-8,17H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-5H-pyrido[3,2-b]indole-4-carboxylate?
ethyl 2-methyl-5H-pyrido[3,2-b]indole-4-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5H-pyrido[3,2-b]indole-4-carboxylate is sourced from PubChem (CID 138968963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).