4-methylquinolizin-5-ium bromide

C10H10BrN — CID 163564442

IUPAC4-methylquinolizin-5-ium bromide
SMILESCc1cccc2cccc[n+]12.[Br-]
InChIInChI=1S/C10H10N.BrH/c1-9-5-4-7-10-6-2-3-8-11(9)10;/h2-8H,1H3;1H/q+1;/p-1
InChIKeyFTZNXNYLSASNRZ-UHFFFAOYSA-M
MW224.10 g/mol
LogP-1.26
Rot. Bonds

About 4-methylquinolizin-5-ium bromide

4-methylquinolizin-5-ium bromide (PubChem CID 163564442) has the molecular formula C10H10BrN and a molecular weight of 224.10 g/mol. Its IUPAC name is 4-methylquinolizin-5-ium bromide.

Molecular Properties

Compound Name4-methylquinolizin-5-ium bromide
PubChem CID163564442
Molecular FormulaC10H10BrN
Molecular Weight224.10 g/mol
Exact Mass223.00
IUPAC Name4-methylquinolizin-5-ium bromide
SMILESCc1cccc2cccc[n+]12.[Br-]
InChIInChI=1S/C10H10N.BrH/c1-9-5-4-7-10-6-2-3-8-11(9)10;/h2-8H,1H3;1H/q+1;/p-1
InChIKeyFTZNXNYLSASNRZ-UHFFFAOYSA-M
XLogP-1.26
TPSA4.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 5-1.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-2-methylpyridin-1-ium
CID 3628169
1,2-dimethylpyridin-1-ium;methane
CID 162122842
ethane;1-hydroxy-2-methylpyridin-1-ium
CID 144937215
2-methyl-1-[3-(2-methylpyridin-1-ium-1-yl)propyl]pyridin-1-ium dibromide
CID 12598864
2-methyl-1-[8-(2-methylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 11455659
ethane;1-hydroxy-2-methylpyridin-1-ium;methane
CID 159708216
1,2-dimethylpyridin-1-ium;ethane;methane
CID 161162083
2-methyl-1-[5-[3-[5-(2-methylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium dibromide
CID 24743189
2-methyl-1-oxidopyridin-1-ium;propane
CID 91172526
quinolizin-5-ium chloride
CID 19353587
ethyl 4-methylquinolizin-5-ium-1-carboxylate bromide
CID 15669498
2-methyl-1-propylpyridin-1-ium
CID 3808515

Frequently Asked Questions

What is the IUPAC name of 4-methylquinolizin-5-ium bromide?
The IUPAC name of 4-methylquinolizin-5-ium bromide (CID 163564442) is 4-methylquinolizin-5-ium bromide.
What is the SMILES notation for 4-methylquinolizin-5-ium bromide?
The canonical SMILES for 4-methylquinolizin-5-ium bromide is Cc1cccc2cccc[n+]12.[Br-].
What is the InChIKey of 4-methylquinolizin-5-ium bromide?
The InChIKey is FTZNXNYLSASNRZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10N.BrH/c1-9-5-4-7-10-6-2-3-8-11(9)10;/h2-8H,1H3;1H/q+1;/p-1.
What are the key properties of 4-methylquinolizin-5-ium bromide?
4-methylquinolizin-5-ium bromide has a molecular weight of 224.10 g/mol, XLogP of -1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylquinolizin-5-ium bromide is sourced from PubChem (CID 163564442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).