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

C15H14N2O2 — CID 12795669

IUPACmethyl 4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCc1c(C(=O)OC)ncc2[nH]c3ccccc3c12
InChIInChI=1S/C15H14N2O2/c1-3-9-13-10-6-4-5-7-11(10)17-12(13)8-16-14(9)15(18)19-2/h4-8,17H,3H2,1-2H3
InChIKeyKRQWXIVQQMTXMI-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.07
Rot. Bonds2

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

methyl 4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 12795669) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID12795669
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Namemethyl 4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCCc1c(C(=O)OC)ncc2[nH]c3ccccc3c12
InChIInChI=1S/C15H14N2O2/c1-3-9-13-10-6-4-5-7-11(10)17-12(13)8-16-14(9)15(18)19-2/h4-8,17H,3H2,1-2H3
InChIKeyKRQWXIVQQMTXMI-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of methyl 4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate (CID 12795669) is methyl 4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for methyl 4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for methyl 4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate is CCc1c(C(=O)OC)ncc2[nH]c3ccccc3c12.
What is the InChIKey of methyl 4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is KRQWXIVQQMTXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-3-9-13-10-6-4-5-7-11(10)17-12(13)8-16-14(9)15(18)19-2/h4-8,17H,3H2,1-2H3.
What are the key properties of methyl 4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate?
methyl 4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 12795669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).