methyl 9-methylpyrido[3,4-b]indole-3-carboxylate

C14H12N2O2 — CID 12789149

IUPACmethyl 9-methylpyrido[3,4-b]indole-3-carboxylate
SMILESCOC(=O)c1cc2c3ccccc3n(C)c2cn1
InChIInChI=1S/C14H12N2O2/c1-16-12-6-4-3-5-9(12)10-7-11(14(17)18-2)15-8-13(10)16/h3-8H,1-2H3
InChIKeyQJVBEJRCLQGKAR-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.51
Rot. Bonds1

About methyl 9-methylpyrido[3,4-b]indole-3-carboxylate

methyl 9-methylpyrido[3,4-b]indole-3-carboxylate (PubChem CID 12789149) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 9-methylpyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-methylpyrido[3,4-b]indole-3-carboxylate
PubChem CID12789149
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Namemethyl 9-methylpyrido[3,4-b]indole-3-carboxylate
SMILESCOC(=O)c1cc2c3ccccc3n(C)c2cn1
InChIInChI=1S/C14H12N2O2/c1-16-12-6-4-3-5-9(12)10-7-11(14(17)18-2)15-8-13(10)16/h3-8H,1-2H3
InChIKeyQJVBEJRCLQGKAR-UHFFFAOYSA-N
XLogP2.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 9-methylpyrido[3,4-b]indole-3-carboxylate?
The IUPAC name of methyl 9-methylpyrido[3,4-b]indole-3-carboxylate (CID 12789149) is methyl 9-methylpyrido[3,4-b]indole-3-carboxylate.
What is the SMILES notation for methyl 9-methylpyrido[3,4-b]indole-3-carboxylate?
The canonical SMILES for methyl 9-methylpyrido[3,4-b]indole-3-carboxylate is COC(=O)c1cc2c3ccccc3n(C)c2cn1.
What is the InChIKey of methyl 9-methylpyrido[3,4-b]indole-3-carboxylate?
The InChIKey is QJVBEJRCLQGKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-16-12-6-4-3-5-9(12)10-7-11(14(17)18-2)15-8-13(10)16/h3-8H,1-2H3.
What are the key properties of methyl 9-methylpyrido[3,4-b]indole-3-carboxylate?
methyl 9-methylpyrido[3,4-b]indole-3-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-methylpyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 12789149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).