5-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]quinolin-8-ol iodide

C17H15IN2O — CID 137221721

IUPAC5-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]quinolin-8-ol iodide
SMILESC[n+]1ccccc1C=Cc1ccc(O)c2ncccc12.[I-]
InChIInChI=1S/C17H14N2O.HI/c1-19-12-3-2-5-14(19)9-7-13-8-10-16(20)17-15(13)6-4-11-18-17;/h2-12H,1H3;1H
InChIKeyPYAWLFSJULVHRL-UHFFFAOYSA-N
MW390.22 g/mol
LogP-0.06
Rot. Bonds2

About 5-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]quinolin-8-ol iodide

5-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]quinolin-8-ol iodide (PubChem CID 137221721) has the molecular formula C17H15IN2O and a molecular weight of 390.22 g/mol. Its IUPAC name is 5-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]quinolin-8-ol iodide.

Molecular Properties

Compound Name5-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]quinolin-8-ol iodide
PubChem CID137221721
Molecular FormulaC17H15IN2O
Molecular Weight390.22 g/mol
Exact Mass390.02
IUPAC Name5-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]quinolin-8-ol iodide
SMILESC[n+]1ccccc1C=Cc1ccc(O)c2ncccc12.[I-]
InChIInChI=1S/C17H14N2O.HI/c1-19-12-3-2-5-14(19)9-7-13-8-10-16(20)17-15(13)6-4-11-18-17;/h2-12H,1H3;1H
InChIKeyPYAWLFSJULVHRL-UHFFFAOYSA-N
XLogP-0.06
TPSA37.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]quinolin-8-ol iodide?
The IUPAC name of 5-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]quinolin-8-ol iodide (CID 137221721) is 5-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]quinolin-8-ol iodide.
What is the SMILES notation for 5-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]quinolin-8-ol iodide?
The canonical SMILES for 5-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]quinolin-8-ol iodide is C[n+]1ccccc1C=Cc1ccc(O)c2ncccc12.[I-].
What is the InChIKey of 5-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]quinolin-8-ol iodide?
The InChIKey is PYAWLFSJULVHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O.HI/c1-19-12-3-2-5-14(19)9-7-13-8-10-16(20)17-15(13)6-4-11-18-17;/h2-12H,1H3;1H.
What are the key properties of 5-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]quinolin-8-ol iodide?
5-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]quinolin-8-ol iodide has a molecular weight of 390.22 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]quinolin-8-ol iodide is sourced from PubChem (CID 137221721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).