1-(5-quinolin-1-ium-1-ylpentyl)quinolin-1-ium dibromide

C23H24Br2N2 — CID 24845873

IUPAC1-(5-quinolin-1-ium-1-ylpentyl)quinolin-1-ium dibromide
SMILES[Br-].[Br-].c1ccc2c(c1)ccc[n+]2CCCCC[n+]1cccc2ccccc21
InChIInChI=1S/C23H24N2.2BrH/c1(6-16-24-18-8-12-20-10-2-4-14-22(20)24)7-17-25-19-9-13-21-11-3-5-15-23(21)25;;/h2-5,8-15,18-19H,1,6-7,16-17H2;2*1H/q+2;;/p-2
InChIKeyCTCVESFARVIVOE-UHFFFAOYSA-L
MW488.27 g/mol
LogP-1.55
Rot. Bonds6

About 1-(5-quinolin-1-ium-1-ylpentyl)quinolin-1-ium dibromide

1-(5-quinolin-1-ium-1-ylpentyl)quinolin-1-ium dibromide (PubChem CID 24845873) has the molecular formula C23H24Br2N2 and a molecular weight of 488.27 g/mol. Its IUPAC name is 1-(5-quinolin-1-ium-1-ylpentyl)quinolin-1-ium dibromide.

Molecular Properties

Compound Name1-(5-quinolin-1-ium-1-ylpentyl)quinolin-1-ium dibromide
PubChem CID24845873
Molecular FormulaC23H24Br2N2
Molecular Weight488.27 g/mol
Exact Mass486.03
IUPAC Name1-(5-quinolin-1-ium-1-ylpentyl)quinolin-1-ium dibromide
SMILES[Br-].[Br-].c1ccc2c(c1)ccc[n+]2CCCCC[n+]1cccc2ccccc21
InChIInChI=1S/C23H24N2.2BrH/c1(6-16-24-18-8-12-20-10-2-4-14-22(20)24)7-17-25-19-9-13-21-11-3-5-15-23(21)25;;/h2-5,8-15,18-19H,1,6-7,16-17H2;2*1H/q+2;;/p-2
InChIKeyCTCVESFARVIVOE-UHFFFAOYSA-L
XLogP-1.55
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.27
LogP ≤ 5-1.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(5-quinolin-1-ium-1-ylpentyl)quinolin-1-ium dibromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-quinolin-1-ium-1-ylpentyl)quinolin-1-ium dibromide?
The IUPAC name of 1-(5-quinolin-1-ium-1-ylpentyl)quinolin-1-ium dibromide (CID 24845873) is 1-(5-quinolin-1-ium-1-ylpentyl)quinolin-1-ium dibromide.
What is the SMILES notation for 1-(5-quinolin-1-ium-1-ylpentyl)quinolin-1-ium dibromide?
The canonical SMILES for 1-(5-quinolin-1-ium-1-ylpentyl)quinolin-1-ium dibromide is [Br-].[Br-].c1ccc2c(c1)ccc[n+]2CCCCC[n+]1cccc2ccccc21.
What is the InChIKey of 1-(5-quinolin-1-ium-1-ylpentyl)quinolin-1-ium dibromide?
The InChIKey is CTCVESFARVIVOE-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H24N2.2BrH/c1(6-16-24-18-8-12-20-10-2-4-14-22(20)24)7-17-25-19-9-13-21-11-3-5-15-23(21)25;;/h2-5,8-15,18-19H,1,6-7,16-17H2;2*1H/q+2;;/p-2.
What are the key properties of 1-(5-quinolin-1-ium-1-ylpentyl)quinolin-1-ium dibromide?
1-(5-quinolin-1-ium-1-ylpentyl)quinolin-1-ium dibromide has a molecular weight of 488.27 g/mol, XLogP of -1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-quinolin-1-ium-1-ylpentyl)quinolin-1-ium dibromide is sourced from PubChem (CID 24845873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).