5-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-8-ol iodide

C17H15IN2O — CID 137221720

IUPAC5-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-8-ol iodide
SMILESC[n+]1ccc(C=Cc2ccc(O)c3ncccc23)cc1.[I-]
InChIInChI=1S/C17H14N2O.HI/c1-19-11-8-13(9-12-19)4-5-14-6-7-16(20)17-15(14)3-2-10-18-17;/h2-12H,1H3;1H
InChIKeyTWMVNJSBBBQMJQ-UHFFFAOYSA-N
MW390.22 g/mol
LogP-0.06
Rot. Bonds2

About 5-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-8-ol iodide

5-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-8-ol iodide (PubChem CID 137221720) has the molecular formula C17H15IN2O and a molecular weight of 390.22 g/mol. Its IUPAC name is 5-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-8-ol iodide.

Molecular Properties

Compound Name5-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-8-ol iodide
PubChem CID137221720
Molecular FormulaC17H15IN2O
Molecular Weight390.22 g/mol
Exact Mass390.02
IUPAC Name5-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-8-ol iodide
SMILESC[n+]1ccc(C=Cc2ccc(O)c3ncccc23)cc1.[I-]
InChIInChI=1S/C17H14N2O.HI/c1-19-11-8-13(9-12-19)4-5-14-6-7-16(20)17-15(14)3-2-10-18-17;/h2-12H,1H3;1H
InChIKeyTWMVNJSBBBQMJQ-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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Related Compounds

5-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]quinolin-8-ol iodide
CID 137221721
CID 174887707
CID 174887707
2-[2-(8-hydroxyquinolin-5-yl)ethenyl]-1-methylquinolin-1-ium-8-ol chloride
CID 137221718
1,5-bis(8-hydroxyquinolin-5-yl)penta-1,4-dien-3-one
CID 139642586
4-[2-(1-methylquinolin-1-ium-4-yl)ethenyl]quinolin-8-ol
CID 3877232
3-(8-hydroxyquinolin-5-yl)prop-2-enoic acid
CID 175924334
methanol;2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol;iodide
CID 139055816
2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-8-ol chloride
CID 135534383
1-methyl-4-[(E)-2-phenylethenyl]pyridin-1-ium iodide
CID 12946925
4-(2-quinolin-4-ylethenyl)phenol
CID 619025
1-methyl-3-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]indole
CID 918978
2,2-dimethyl-N-[5-[2-(4-methylphenyl)ethenyl]quinolin-8-yl]propanamide
CID 141483605

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-8-ol iodide?
The IUPAC name of 5-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-8-ol iodide (CID 137221720) is 5-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-8-ol iodide.
What is the SMILES notation for 5-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-8-ol iodide?
The canonical SMILES for 5-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-8-ol iodide is C[n+]1ccc(C=Cc2ccc(O)c3ncccc23)cc1.[I-].
What is the InChIKey of 5-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-8-ol iodide?
The InChIKey is TWMVNJSBBBQMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O.HI/c1-19-11-8-13(9-12-19)4-5-14-6-7-16(20)17-15(14)3-2-10-18-17;/h2-12H,1H3;1H.
What are the key properties of 5-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-8-ol iodide?
5-[2-(1-methylpyridin-1-ium-4-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-4-yl)ethenyl]quinolin-8-ol iodide is sourced from PubChem (CID 137221720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).