6-methyl-2,3-diphenylquinolizin-5-ium bromide

C22H18BrN — CID 14009215

IUPAC6-methyl-2,3-diphenylquinolizin-5-ium bromide
SMILESCc1cccc2cc(-c3ccccc3)c(-c3ccccc3)c[n+]12.[Br-]
InChIInChI=1S/C22H18N.BrH/c1-17-9-8-14-20-15-21(18-10-4-2-5-11-18)22(16-23(17)20)19-12-6-3-7-13-19;/h2-16H,1H3;1H/q+1;/p-1
InChIKeySUQLOBMRNSWQEN-UHFFFAOYSA-M
MW376.30 g/mol
LogP2.07
Rot. Bonds2

About 6-methyl-2,3-diphenylquinolizin-5-ium bromide

6-methyl-2,3-diphenylquinolizin-5-ium bromide (PubChem CID 14009215) has the molecular formula C22H18BrN and a molecular weight of 376.30 g/mol. Its IUPAC name is 6-methyl-2,3-diphenylquinolizin-5-ium bromide.

Molecular Properties

Compound Name6-methyl-2,3-diphenylquinolizin-5-ium bromide
PubChem CID14009215
Molecular FormulaC22H18BrN
Molecular Weight376.30 g/mol
Exact Mass375.06
IUPAC Name6-methyl-2,3-diphenylquinolizin-5-ium bromide
SMILESCc1cccc2cc(-c3ccccc3)c(-c3ccccc3)c[n+]12.[Br-]
InChIInChI=1S/C22H18N.BrH/c1-17-9-8-14-20-15-21(18-10-4-2-5-11-18)22(16-23(17)20)19-12-6-3-7-13-19;/h2-16H,1H3;1H/q+1;/p-1
InChIKeySUQLOBMRNSWQEN-UHFFFAOYSA-M
XLogP2.07
TPSA4.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 52.07
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-diphenylquinolizin-5-ium bromide?
The IUPAC name of 6-methyl-2,3-diphenylquinolizin-5-ium bromide (CID 14009215) is 6-methyl-2,3-diphenylquinolizin-5-ium bromide.
What is the SMILES notation for 6-methyl-2,3-diphenylquinolizin-5-ium bromide?
The canonical SMILES for 6-methyl-2,3-diphenylquinolizin-5-ium bromide is Cc1cccc2cc(-c3ccccc3)c(-c3ccccc3)c[n+]12.[Br-].
What is the InChIKey of 6-methyl-2,3-diphenylquinolizin-5-ium bromide?
The InChIKey is SUQLOBMRNSWQEN-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H18N.BrH/c1-17-9-8-14-20-15-21(18-10-4-2-5-11-18)22(16-23(17)20)19-12-6-3-7-13-19;/h2-16H,1H3;1H/q+1;/p-1.
What are the key properties of 6-methyl-2,3-diphenylquinolizin-5-ium bromide?
6-methyl-2,3-diphenylquinolizin-5-ium bromide has a molecular weight of 376.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-diphenylquinolizin-5-ium bromide is sourced from PubChem (CID 14009215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).