methyl 5-methylpyrido[4,3-b]indole-7-carboxylate

C14H12N2O2 — CID 116986202

IUPACmethyl 5-methylpyrido[4,3-b]indole-7-carboxylate
SMILESCOC(=O)c1ccc2c3cnccc3n(C)c2c1
InChIInChI=1S/C14H12N2O2/c1-16-12-5-6-15-8-11(12)10-4-3-9(7-13(10)16)14(17)18-2/h3-8H,1-2H3
InChIKeyZCEWXSQDEOGBAW-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.51
Rot. Bonds1

About methyl 5-methylpyrido[4,3-b]indole-7-carboxylate

methyl 5-methylpyrido[4,3-b]indole-7-carboxylate (PubChem CID 116986202) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 5-methylpyrido[4,3-b]indole-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-methylpyrido[4,3-b]indole-7-carboxylate
PubChem CID116986202
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Namemethyl 5-methylpyrido[4,3-b]indole-7-carboxylate
SMILESCOC(=O)c1ccc2c3cnccc3n(C)c2c1
InChIInChI=1S/C14H12N2O2/c1-16-12-5-6-15-8-11(12)10-4-3-9(7-13(10)16)14(17)18-2/h3-8H,1-2H3
InChIKeyZCEWXSQDEOGBAW-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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Related Compounds

methyl 3-ethyl-1,2-dimethylindole-6-carboxylate
CID 143166836
ethane;methyl 3-ethyl-1,2-dimethylindole-6-carboxylate
CID 143166835
methyl 3-bromo-1-methylindazole-6-carboxylate;methyl pyridine-3-carboxylate
CID 175951142
2-(5-methylpyrido[4,3-b]indol-7-yl)cyclopropane-1-carboxylic acid
CID 116986188
5-methyl-7-phenylpyrido[4,3-b]indole
CID 155583386
methyl 6-amino-9-methylcarbazole-3-carboxylate;hydrochloride
CID 171367133
N-ethyl-3-(5-methylpyrido[4,3-b]indol-7-yl)propanamide;molecular hydrogen
CID 142517138
methyl 5-chlorobenzo[c][2,6]naphthyridine-8-carboxylate
CID 25252836
methyl 1-methyl-2,4-dioxo-3-(pyridin-3-ylmethyl)quinazoline-6-carboxylate
CID 174470959
3-(5-methylpyrido[4,3-b]indol-7-yl)-N-prop-1-en-2-ylpropanamide
CID 137418675
2-(5-methylpyrido[4,3-b]indol-8-yl)acetic acid
CID 116985962
methyl 1-(4-carbamoyl-3-pyridinyl)indole-5-carboxylate
CID 170651487

Frequently Asked Questions

What is the IUPAC name of methyl 5-methylpyrido[4,3-b]indole-7-carboxylate?
The IUPAC name of methyl 5-methylpyrido[4,3-b]indole-7-carboxylate (CID 116986202) is methyl 5-methylpyrido[4,3-b]indole-7-carboxylate.
What is the SMILES notation for methyl 5-methylpyrido[4,3-b]indole-7-carboxylate?
The canonical SMILES for methyl 5-methylpyrido[4,3-b]indole-7-carboxylate is COC(=O)c1ccc2c3cnccc3n(C)c2c1.
What is the InChIKey of methyl 5-methylpyrido[4,3-b]indole-7-carboxylate?
The InChIKey is ZCEWXSQDEOGBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-16-12-5-6-15-8-11(12)10-4-3-9(7-13(10)16)14(17)18-2/h3-8H,1-2H3.
What are the key properties of methyl 5-methylpyrido[4,3-b]indole-7-carboxylate?
methyl 5-methylpyrido[4,3-b]indole-7-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 5-methylpyrido[4,3-b]indole-7-carboxylate is sourced from PubChem (CID 116986202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).