magnesium;7-methoxy-1-methyl-8,9-dihydropyrido[3,4-b]indol-8-ide;iodide

C13H11IMgN2O — CID 54683866

IUPACmagnesium;7-methoxy-1-methyl-8,9-dihydropyrido[3,4-b]indol-8-ide;iodide
SMILESCOc1[c-]c2[nH]c3c(C)nccc3c2cc1.[I-].[Mg+2]
InChIInChI=1S/C13H11N2O.HI.Mg/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;;/h3-6,15H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyLUGYJNUBMLAISA-UHFFFAOYSA-M
MW362.45 g/mol
LogP-0.54
Rot. Bonds1

About magnesium;7-methoxy-1-methyl-8,9-dihydropyrido[3,4-b]indol-8-ide;iodide

magnesium;7-methoxy-1-methyl-8,9-dihydropyrido[3,4-b]indol-8-ide;iodide (PubChem CID 54683866) has the molecular formula C13H11IMgN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is magnesium;7-methoxy-1-methyl-8,9-dihydropyrido[3,4-b]indol-8-ide;iodide.

Molecular Properties

Compound Namemagnesium;7-methoxy-1-methyl-8,9-dihydropyrido[3,4-b]indol-8-ide;iodide
PubChem CID54683866
Molecular FormulaC13H11IMgN2O
Molecular Weight362.45 g/mol
Exact Mass361.98
IUPAC Namemagnesium;7-methoxy-1-methyl-8,9-dihydropyrido[3,4-b]indol-8-ide;iodide
SMILESCOc1[c-]c2[nH]c3c(C)nccc3c2cc1.[I-].[Mg+2]
InChIInChI=1S/C13H11N2O.HI.Mg/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;;/h3-6,15H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyLUGYJNUBMLAISA-UHFFFAOYSA-M
XLogP-0.54
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

iodomethane;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 25113429
7-methoxy-1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
CID 170743594
6-chloro-1-methyl-8-(4-methylphenyl)-9H-pyrido[3,4-b]indole
CID 134483619
7-ethenoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 147230714
1H-indole;7-methoxy-1-methyl-9H-pyrido[3,4-b]indole
CID 175384815
2,4-dimethoxy-3H-pyridin-3-ide;yttrium
CID 177102628
3-[(1-methyl-9H-pyrido[3,4-b]indol-7-yl)oxy]propan-1-amine
CID 54575583
acetic acid;7-methoxy-1-methyl-8,9-dihydro-5H-pyrido[3,4-b]indole
CID 5493293
1-(trideuteriomethyl)-9H-pyrido[3,4-b]indole
CID 46781679
6-(1H-indol-5-yl)-1-methyl-9H-pyrido[3,4-b]indole
CID 57336206
ethane;5-methyl-1H-1,6-naphthyridin-2-one
CID 143136262
1-methyl-7-[(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)methoxy]-9H-pyrido[3,4-b]indole
CID 170384278

Frequently Asked Questions

What is the IUPAC name of magnesium;7-methoxy-1-methyl-8,9-dihydropyrido[3,4-b]indol-8-ide;iodide?
The IUPAC name of magnesium;7-methoxy-1-methyl-8,9-dihydropyrido[3,4-b]indol-8-ide;iodide (CID 54683866) is magnesium;7-methoxy-1-methyl-8,9-dihydropyrido[3,4-b]indol-8-ide;iodide.
What is the SMILES notation for magnesium;7-methoxy-1-methyl-8,9-dihydropyrido[3,4-b]indol-8-ide;iodide?
The canonical SMILES for magnesium;7-methoxy-1-methyl-8,9-dihydropyrido[3,4-b]indol-8-ide;iodide is COc1[c-]c2[nH]c3c(C)nccc3c2cc1.[I-].[Mg+2].
What is the InChIKey of magnesium;7-methoxy-1-methyl-8,9-dihydropyrido[3,4-b]indol-8-ide;iodide?
The InChIKey is LUGYJNUBMLAISA-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11N2O.HI.Mg/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;;/h3-6,15H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;7-methoxy-1-methyl-8,9-dihydropyrido[3,4-b]indol-8-ide;iodide?
magnesium;7-methoxy-1-methyl-8,9-dihydropyrido[3,4-b]indol-8-ide;iodide has a molecular weight of 362.45 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;7-methoxy-1-methyl-8,9-dihydropyrido[3,4-b]indol-8-ide;iodide is sourced from PubChem (CID 54683866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).