6-(2-methoxyphenyl)-1-methyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one bromide

C14H14BrN3O2 — CID 146674111

IUPAC6-(2-methoxyphenyl)-1-methyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one bromide
SMILESCOc1ccccc1-c1cn2cc[n+](C)c2c(=O)[nH]1.[Br-]
InChIInChI=1S/C14H13N3O2.BrH/c1-16-7-8-17-9-11(15-13(18)14(16)17)10-5-3-4-6-12(10)19-2;/h3-9H,1-2H3;1H
InChIKeyQLZMTEJNONTKAM-UHFFFAOYSA-N
MW336.19 g/mol
LogP-1.87
Rot. Bonds2

About 6-(2-methoxyphenyl)-1-methyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one bromide

6-(2-methoxyphenyl)-1-methyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one bromide (PubChem CID 146674111) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-1-methyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one bromide.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-1-methyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one bromide
PubChem CID146674111
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name6-(2-methoxyphenyl)-1-methyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one bromide
SMILESCOc1ccccc1-c1cn2cc[n+](C)c2c(=O)[nH]1.[Br-]
InChIInChI=1S/C14H13N3O2.BrH/c1-16-7-8-17-9-11(15-13(18)14(16)17)10-5-3-4-6-12(10)19-2;/h3-9H,1-2H3;1H
InChIKeyQLZMTEJNONTKAM-UHFFFAOYSA-N
XLogP-1.87
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 5-1.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-6-(2-methoxyphenyl)-4-methyl-1H-pyridin-2-one
CID 82189666
8-(4-methoxyphenyl)-1-methyl-7-phenylimidazo[1,2-a]pyridin-1-ium
CID 132507469
5-(2-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 22507236
6-(2-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 1472847
1,3-bis[5-(2-methoxyphenyl)-1H-pyrrol-2-yl]propane-1,3-dione
CID 102394420
3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(2-methoxyphenyl)-1H-pyridin-2-one
CID 138054672
4-(2-methoxyphenyl)-5-methyl-1,3-dihydroimidazol-2-one
CID 105456048
2,3-bis(2-methoxyphenyl)cyclopent-2-en-1-one
CID 102233598
8-methoxy-1,7-dimethylimidazo[1,2-a]pyridin-1-ium iodide
CID 139225553
6-(2-methoxyphenyl)-2-oxo-1H-pyrimidine-4-carbonitrile
CID 39246998
2-(2-bromophenyl)-6-(2-methoxyphenyl)-4,5-dihydro-1,2,4-triazin-3-one
CID 68893251
6-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
CID 17067657

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-1-methyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one bromide?
The IUPAC name of 6-(2-methoxyphenyl)-1-methyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one bromide (CID 146674111) is 6-(2-methoxyphenyl)-1-methyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one bromide.
What is the SMILES notation for 6-(2-methoxyphenyl)-1-methyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one bromide?
The canonical SMILES for 6-(2-methoxyphenyl)-1-methyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one bromide is COc1ccccc1-c1cn2cc[n+](C)c2c(=O)[nH]1.[Br-].
What is the InChIKey of 6-(2-methoxyphenyl)-1-methyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one bromide?
The InChIKey is QLZMTEJNONTKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2.BrH/c1-16-7-8-17-9-11(15-13(18)14(16)17)10-5-3-4-6-12(10)19-2;/h3-9H,1-2H3;1H.
What are the key properties of 6-(2-methoxyphenyl)-1-methyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one bromide?
6-(2-methoxyphenyl)-1-methyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one bromide has a molecular weight of 336.19 g/mol, XLogP of -1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-1-methyl-7H-imidazo[1,2-a]pyrazin-1-ium-8-one bromide is sourced from PubChem (CID 146674111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).