1-ethyl-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium

C22H24NO3+ — CID 86160184

IUPAC1-ethyl-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium
SMILESCC[n+]1c(C=Cc2cc(OC)c(OC)c(OC)c2)ccc2ccccc21
InChIInChI=1S/C22H24NO3/c1-5-23-18(13-11-17-8-6-7-9-19(17)23)12-10-16-14-20(24-2)22(26-4)21(15-16)25-3/h6-15H,5H2,1-4H3/q+1
InChIKeyPQIUJIACRBZQHS-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.34
Rot. Bonds6

About 1-ethyl-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium

1-ethyl-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium (PubChem CID 86160184) has the molecular formula C22H24NO3+ and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-ethyl-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium.

Molecular Properties

Compound Name1-ethyl-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium
PubChem CID86160184
Molecular FormulaC22H24NO3+
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name1-ethyl-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium
SMILESCC[n+]1c(C=Cc2cc(OC)c(OC)c(OC)c2)ccc2ccccc21
InChIInChI=1S/C22H24NO3/c1-5-23-18(13-11-17-8-6-7-9-19(17)23)12-10-16-14-20(24-2)22(26-4)21(15-16)25-3/h6-15H,5H2,1-4H3/q+1
InChIKeyPQIUJIACRBZQHS-UHFFFAOYSA-N
XLogP4.34
TPSA31.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-ethyl-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-[2-(2,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium iodide
CID 86160176
4-[2-(1-ethylquinolin-1-ium-2-yl)ethenyl]benzaldehyde
CID 54378783
1-ethyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinolin-1-ium;hydroiodide
CID 126960352
[4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]phenyl]boronic acid
CID 102497187
4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]benzene-1,2-diol
CID 59595288
1-propyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium
CID 3603402
2-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1-methylquinolin-1-ium iodide
CID 118736714
1,4-bis[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]naphthalene
CID 59742495
1-ethyl-2-[(E)-2-(1,2,3,3-tetramethyl-2H-indol-5-yl)ethenyl]quinolin-1-ium
CID 6139447
1-methyl-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium
CID 53315592
benzenesulfonate;2-methoxy-4-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenol
CID 166450315
2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-[3-[3-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]propyldisulfanyl]propyl]pyridin-1-ium
CID 89149814

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium?
The IUPAC name of 1-ethyl-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium (CID 86160184) is 1-ethyl-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium.
What is the SMILES notation for 1-ethyl-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium?
The canonical SMILES for 1-ethyl-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium is CC[n+]1c(C=Cc2cc(OC)c(OC)c(OC)c2)ccc2ccccc21.
What is the InChIKey of 1-ethyl-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium?
The InChIKey is PQIUJIACRBZQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24NO3/c1-5-23-18(13-11-17-8-6-7-9-19(17)23)12-10-16-14-20(24-2)22(26-4)21(15-16)25-3/h6-15H,5H2,1-4H3/q+1.
What are the key properties of 1-ethyl-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium?
1-ethyl-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium has a molecular weight of 350.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium is sourced from PubChem (CID 86160184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).