methyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate

C14H12N2O2 — CID 13351962

IUPACmethyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate
SMILESCOC(=O)c1ncc(C)c2[nH]c3ccccc3c12
InChIInChI=1S/C14H12N2O2/c1-8-7-15-13(14(17)18-2)11-9-5-3-4-6-10(9)16-12(8)11/h3-7,16H,1-2H3
InChIKeyCHBHHUKJMJOZMB-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.81
Rot. Bonds1

About methyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate

methyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate (PubChem CID 13351962) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate
PubChem CID13351962
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Namemethyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate
SMILESCOC(=O)c1ncc(C)c2[nH]c3ccccc3c12
InChIInChI=1S/C14H12N2O2/c1-8-7-15-13(14(17)18-2)11-9-5-3-4-6-10(9)16-12(8)11/h3-7,16H,1-2H3
InChIKeyCHBHHUKJMJOZMB-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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Related Compounds

methyl 3-methyl-4-phenyl-5H-pyrido[4,3-b]indole-1-carboxylate
CID 13351963
dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
CID 132503759
methyl 1-(furan-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 14284076
methyl 9H-pyrido[3,4-b]indole-4-carboxylate
CID 11345149
diethyl 4-methyl-5H-pyrido[4,3-b]indole-1,3-dicarboxylate
CID 102268938
methyl 2-oxo-10,21-diazapentacyclo[12.7.0.03,11.04,9.015,20]henicosa-1(14),3(11),4,6,8,12,15,17,19-nonaene-12-carboxylate
CID 10593388
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-methyl-9H-pyrido[3,4-b]indol-1-yl)methanone
CID 10638692
5H-pyridazino[4,5-b]indole-1,4-dicarboxylic acid
CID 91128673
ethyl 4-phenyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 12795664
1-O-ethyl 3-O-methyl 9H-pyrido[3,4-b]indole-1,3-dicarboxylate
CID 102040877
4-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 11481274

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate?
The IUPAC name of methyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate (CID 13351962) is methyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate.
What is the SMILES notation for methyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate?
The canonical SMILES for methyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate is COC(=O)c1ncc(C)c2[nH]c3ccccc3c12.
What is the InChIKey of methyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate?
The InChIKey is CHBHHUKJMJOZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-8-7-15-13(14(17)18-2)11-9-5-3-4-6-10(9)16-12(8)11/h3-7,16H,1-2H3.
What are the key properties of methyl 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate?
methyl 4-methyl-5H-pyrido[4,3-b]indole-1-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 4-methyl-5H-pyrido[4,3-b]indole-1-carboxylate is sourced from PubChem (CID 13351962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).