1-butyl-2H-quinoline;hexafluoroantimony(1-)

C13H17F6NSb- — CID 175158891

IUPAC1-butyl-2H-quinoline;hexafluoroantimony(1-)
SMILESCCCCN1CC=Cc2ccccc21.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C13H17N.6FH.Sb/c1-2-3-10-14-11-6-8-12-7-4-5-9-13(12)14;;;;;;;/h4-9H,2-3,10-11H2,1H3;6*1H;/q;;;;;;;+5/p-6
InChIKeyAEDBKIFEQDRJFD-UHFFFAOYSA-H
MW423.03 g/mol
LogP5.46
Rot. Bonds3

About 1-butyl-2H-quinoline;hexafluoroantimony(1-)

1-butyl-2H-quinoline;hexafluoroantimony(1-) (PubChem CID 175158891) has the molecular formula C13H17F6NSb- and a molecular weight of 423.03 g/mol. Its IUPAC name is 1-butyl-2H-quinoline;hexafluoroantimony(1-).

Molecular Properties

Compound Name1-butyl-2H-quinoline;hexafluoroantimony(1-)
PubChem CID175158891
Molecular FormulaC13H17F6NSb-
Molecular Weight423.03 g/mol
Exact Mass422.03
IUPAC Name1-butyl-2H-quinoline;hexafluoroantimony(1-)
SMILESCCCCN1CC=Cc2ccccc21.F[Sb-](F)(F)(F)(F)F
InChIInChI=1S/C13H17N.6FH.Sb/c1-2-3-10-14-11-6-8-12-7-4-5-9-13(12)14;;;;;;;/h4-9H,2-3,10-11H2,1H3;6*1H;/q;;;;;;;+5/p-6
InChIKeyAEDBKIFEQDRJFD-UHFFFAOYSA-H
XLogP5.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.03
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-butyl-2H-quinoline;hexafluoroantimony(1-) 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-butyl-2H-quinoline;hexafluoroantimony(1-)?
The IUPAC name of 1-butyl-2H-quinoline;hexafluoroantimony(1-) (CID 175158891) is 1-butyl-2H-quinoline;hexafluoroantimony(1-).
What is the SMILES notation for 1-butyl-2H-quinoline;hexafluoroantimony(1-)?
The canonical SMILES for 1-butyl-2H-quinoline;hexafluoroantimony(1-) is CCCCN1CC=Cc2ccccc21.F[Sb-](F)(F)(F)(F)F.
What is the InChIKey of 1-butyl-2H-quinoline;hexafluoroantimony(1-)?
The InChIKey is AEDBKIFEQDRJFD-UHFFFAOYSA-H. The full InChI is InChI=1S/C13H17N.6FH.Sb/c1-2-3-10-14-11-6-8-12-7-4-5-9-13(12)14;;;;;;;/h4-9H,2-3,10-11H2,1H3;6*1H;/q;;;;;;;+5/p-6.
What are the key properties of 1-butyl-2H-quinoline;hexafluoroantimony(1-)?
1-butyl-2H-quinoline;hexafluoroantimony(1-) has a molecular weight of 423.03 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2H-quinoline;hexafluoroantimony(1-) is sourced from PubChem (CID 175158891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).