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

C14H12N2O2 — CID 5291723

IUPACmethyl 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCOC(=O)c1cc2c([nH]c3ccccc32)c(C)n1
InChIInChI=1S/C14H12N2O2/c1-8-13-10(7-12(15-8)14(17)18-2)9-5-3-4-6-11(9)16-13/h3-7,16H,1-2H3
InChIKeyLIAUJQLOCLVMMH-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.81
Rot. Bonds1

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

methyl 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 5291723) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
PubChem CID5291723
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Namemethyl 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
SMILESCOC(=O)c1cc2c([nH]c3ccccc32)c(C)n1
InChIInChI=1S/C14H12N2O2/c1-8-13-10(7-12(15-8)14(17)18-2)9-5-3-4-6-11(9)16-13/h3-7,16H,1-2H3
InChIKeyLIAUJQLOCLVMMH-UHFFFAOYSA-N
XLogP2.81
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of methyl 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate (CID 5291723) is methyl 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for methyl 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate is COC(=O)c1cc2c([nH]c3ccccc32)c(C)n1.
What is the InChIKey of methyl 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
The InChIKey is LIAUJQLOCLVMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-8-13-10(7-12(15-8)14(17)18-2)9-5-3-4-6-11(9)16-13/h3-7,16H,1-2H3.
What are the key properties of methyl 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate?
methyl 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 5291723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).