1-(6-quinolin-1-ium-1-ylhexyl)quinolin-1-ium

C24H26N2+2 — CID 11180907

IUPAC1-(6-quinolin-1-ium-1-ylhexyl)quinolin-1-ium
SMILESc1ccc2c(c1)ccc[n+]2CCCCCC[n+]1cccc2ccccc21
InChIInChI=1S/C24H26N2/c1(7-17-25-19-9-13-21-11-3-5-15-23(21)25)2-8-18-26-20-10-14-22-12-4-6-16-24(22)26/h3-6,9-16,19-20H,1-2,7-8,17-18H2/q+2
InChIKeyCHWJVANCPFQFAA-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.83
Rot. Bonds7

About 1-(6-quinolin-1-ium-1-ylhexyl)quinolin-1-ium

1-(6-quinolin-1-ium-1-ylhexyl)quinolin-1-ium (PubChem CID 11180907) has the molecular formula C24H26N2+2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-(6-quinolin-1-ium-1-ylhexyl)quinolin-1-ium.

Molecular Properties

Compound Name1-(6-quinolin-1-ium-1-ylhexyl)quinolin-1-ium
PubChem CID11180907
Molecular FormulaC24H26N2+2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name1-(6-quinolin-1-ium-1-ylhexyl)quinolin-1-ium
SMILESc1ccc2c(c1)ccc[n+]2CCCCCC[n+]1cccc2ccccc21
InChIInChI=1S/C24H26N2/c1(7-17-25-19-9-13-21-11-3-5-15-23(21)25)2-8-18-26-20-10-14-22-12-4-6-16-24(22)26/h3-6,9-16,19-20H,1-2,7-8,17-18H2/q+2
InChIKeyCHWJVANCPFQFAA-UHFFFAOYSA-N
XLogP4.83
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.83
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-quinolin-1-ium-1-ylhexyl)quinolin-1-ium?
The IUPAC name of 1-(6-quinolin-1-ium-1-ylhexyl)quinolin-1-ium (CID 11180907) is 1-(6-quinolin-1-ium-1-ylhexyl)quinolin-1-ium.
What is the SMILES notation for 1-(6-quinolin-1-ium-1-ylhexyl)quinolin-1-ium?
The canonical SMILES for 1-(6-quinolin-1-ium-1-ylhexyl)quinolin-1-ium is c1ccc2c(c1)ccc[n+]2CCCCCC[n+]1cccc2ccccc21.
What is the InChIKey of 1-(6-quinolin-1-ium-1-ylhexyl)quinolin-1-ium?
The InChIKey is CHWJVANCPFQFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2/c1(7-17-25-19-9-13-21-11-3-5-15-23(21)25)2-8-18-26-20-10-14-22-12-4-6-16-24(22)26/h3-6,9-16,19-20H,1-2,7-8,17-18H2/q+2.
What are the key properties of 1-(6-quinolin-1-ium-1-ylhexyl)quinolin-1-ium?
1-(6-quinolin-1-ium-1-ylhexyl)quinolin-1-ium has a molecular weight of 342.49 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-quinolin-1-ium-1-ylhexyl)quinolin-1-ium is sourced from PubChem (CID 11180907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).