1-propyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium

C23H26NO3+ — CID 3603402

IUPAC1-propyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium
SMILESCCC[n+]1c(C=Cc2c(OC)cc(OC)cc2OC)ccc2ccccc21
InChIInChI=1S/C23H26NO3/c1-5-14-24-18(11-10-17-8-6-7-9-21(17)24)12-13-20-22(26-3)15-19(25-2)16-23(20)27-4/h6-13,15-16H,5,14H2,1-4H3/q+1
InChIKeyHTKARICGWUKCDH-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.73
Rot. Bonds7

About 1-propyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium

1-propyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium (PubChem CID 3603402) has the molecular formula C23H26NO3+ and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-propyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium.

Molecular Properties

Compound Name1-propyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium
PubChem CID3603402
Molecular FormulaC23H26NO3+
Molecular Weight364.47 g/mol
Exact Mass364.19
IUPAC Name1-propyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium
SMILESCCC[n+]1c(C=Cc2c(OC)cc(OC)cc2OC)ccc2ccccc21
InChIInChI=1S/C23H26NO3/c1-5-14-24-18(11-10-17-8-6-7-9-21(17)24)12-13-20-22(26-3)15-19(25-2)16-23(20)27-4/h6-13,15-16H,5,14H2,1-4H3/q+1
InChIKeyHTKARICGWUKCDH-UHFFFAOYSA-N
XLogP4.73
TPSA31.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium
CID 54212311
1-ethyl-2-[2-(2,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium iodide
CID 86160176
1-ethyl-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium
CID 86160184
1-methyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]pyridin-1-ium
CID 3410175
1-methyl-2-[(Z)-2-(2,4,6-trimethoxyphenyl)ethenyl]pyridin-1-ium iodide
CID 54612482
6-methoxy-1-propylquinolin-1-ium
CID 782024
1,3,5-trimethoxy-2-(2-phenylethenyl)benzene
CID 3809571
2-[(E)-2-(1-decylquinolin-1-ium-2-yl)ethenyl]phenol
CID 87743068
(2Z)-3-ethyl-2-[(1-propylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole
CID 15996482
2-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-oxidoquinolin-1-ium
CID 18527793
4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]benzene-1,2-diol
CID 59595288
4-[2-(1-ethylquinolin-1-ium-2-yl)ethenyl]benzaldehyde
CID 54378783

Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium?
The IUPAC name of 1-propyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium (CID 3603402) is 1-propyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium.
What is the SMILES notation for 1-propyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium?
The canonical SMILES for 1-propyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium is CCC[n+]1c(C=Cc2c(OC)cc(OC)cc2OC)ccc2ccccc21.
What is the InChIKey of 1-propyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium?
The InChIKey is HTKARICGWUKCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26NO3/c1-5-14-24-18(11-10-17-8-6-7-9-21(17)24)12-13-20-22(26-3)15-19(25-2)16-23(20)27-4/h6-13,15-16H,5,14H2,1-4H3/q+1.
What are the key properties of 1-propyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium?
1-propyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium has a molecular weight of 364.47 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium is sourced from PubChem (CID 3603402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).