1-(2-phenylethyl)quinolin-1-ium-8-olate;hydroiodide

C17H16INO — CID 171376170

IUPAC1-(2-phenylethyl)quinolin-1-ium-8-olate;hydroiodide
SMILESI.[O-]c1cccc2ccc[n+](CCc3ccccc3)c12
InChIInChI=1S/C17H15NO.HI/c19-16-10-4-8-15-9-5-12-18(17(15)16)13-11-14-6-2-1-3-7-14;/h1-10,12H,11,13H2;1H
InChIKeyFURAITAJWMMZET-UHFFFAOYSA-N
MW377.23 g/mol
LogP3.06
Rot. Bonds3

About 1-(2-phenylethyl)quinolin-1-ium-8-olate;hydroiodide

1-(2-phenylethyl)quinolin-1-ium-8-olate;hydroiodide (PubChem CID 171376170) has the molecular formula C17H16INO and a molecular weight of 377.23 g/mol. Its IUPAC name is 1-(2-phenylethyl)quinolin-1-ium-8-olate;hydroiodide.

Molecular Properties

Compound Name1-(2-phenylethyl)quinolin-1-ium-8-olate;hydroiodide
PubChem CID171376170
Molecular FormulaC17H16INO
Molecular Weight377.23 g/mol
Exact Mass377.03
IUPAC Name1-(2-phenylethyl)quinolin-1-ium-8-olate;hydroiodide
SMILESI.[O-]c1cccc2ccc[n+](CCc3ccccc3)c12
InChIInChI=1S/C17H15NO.HI/c19-16-10-4-8-15-9-5-12-18(17(15)16)13-11-14-6-2-1-3-7-14;/h1-10,12H,11,13H2;1H
InChIKeyFURAITAJWMMZET-UHFFFAOYSA-N
XLogP3.06
TPSA26.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-(2-phenylethyl)isoquinolin-2-ium
CID 3847656
2-(2-phenylethyl)isoquinolin-2-ium;hydrobromide
CID 126960218
1-(2-phenylethyl)pyrazin-1-ium
CID 4207615
benzene;2-phenylethylbenzene
CID 18982764
1-[3-[4-[4-(3-quinolin-1-ium-1-ylpropyl)phenyl]phenyl]propyl]quinolin-1-ium
CID 72721562
2-(3-phenylpropyl)phenolate
CID 123450771
1-(11-quinolin-1-ium-1-ylundecyl)quinolin-1-ium
CID 11238482
4-methyl-1-(2-phenylethyl)pyridin-1-ium bromide
CID 19969323
1-(8-quinolin-1-ium-1-yloctyl)quinolin-1-ium dibromide
CID 54581375
methane;4-(3-phenylpropyl)-1-[12-[4-(3-phenylpropyl)pyridin-1-ium-1-yl]dodecyl]pyridin-1-ium
CID 158903666
1-(2-quinolin-1-ium-1-ylethyl)quinolin-1-ium dibromide
CID 53422079
hafnium;2-phenylethylbenzene
CID 173109801

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)quinolin-1-ium-8-olate;hydroiodide?
The IUPAC name of 1-(2-phenylethyl)quinolin-1-ium-8-olate;hydroiodide (CID 171376170) is 1-(2-phenylethyl)quinolin-1-ium-8-olate;hydroiodide.
What is the SMILES notation for 1-(2-phenylethyl)quinolin-1-ium-8-olate;hydroiodide?
The canonical SMILES for 1-(2-phenylethyl)quinolin-1-ium-8-olate;hydroiodide is I.[O-]c1cccc2ccc[n+](CCc3ccccc3)c12.
What is the InChIKey of 1-(2-phenylethyl)quinolin-1-ium-8-olate;hydroiodide?
The InChIKey is FURAITAJWMMZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO.HI/c19-16-10-4-8-15-9-5-12-18(17(15)16)13-11-14-6-2-1-3-7-14;/h1-10,12H,11,13H2;1H.
What are the key properties of 1-(2-phenylethyl)quinolin-1-ium-8-olate;hydroiodide?
1-(2-phenylethyl)quinolin-1-ium-8-olate;hydroiodide has a molecular weight of 377.23 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)quinolin-1-ium-8-olate;hydroiodide is sourced from PubChem (CID 171376170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).