Quinolinium, 2-(3,4-dimethoxystyryl)-1-methyl-

C20H20NO2+ — CID 5923856

IUPAC2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-methylquinolin-1-ium
SMILESC[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC(=C(C=C3)OC)OC
InChIInChI=1S/C20H20NO2/c1-21-17(12-10-16-6-4-5-7-18(16)21)11-8-15-9-13-19(22-2)20(14-15)23-3/h4-14H,1-3H3/q+1/b11-8+
InChIKeyIZIPTBVOQVGYLK-DHZHZOJOSA-N
MW306.40 g/mol
LogP4.60
Rot. Bonds4

About Quinolinium, 2-(3,4-dimethoxystyryl)-1-methyl-

Quinolinium, 2-(3,4-dimethoxystyryl)-1-methyl- (PubChem CID 5923856) has the molecular formula C20H20NO2+ and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-methylquinolin-1-ium.

Molecular Properties

Compound NameQuinolinium, 2-(3,4-dimethoxystyryl)-1-methyl-
PubChem CID5923856
Molecular FormulaC20H20NO2+
Molecular Weight306.40 g/mol
Exact Mass306.15
IUPAC Name2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-methylquinolin-1-ium
SMILESC[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC(=C(C=C3)OC)OC
InChIInChI=1S/C20H20NO2/c1-21-17(12-10-16-6-4-5-7-18(16)21)11-8-15-9-13-19(22-2)20(14-15)23-3/h4-14H,1-3H3/q+1/b11-8+
InChIKeyIZIPTBVOQVGYLK-DHZHZOJOSA-N
XLogP4.60
TPSA22.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity397

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze Quinolinium, 2-(3,4-dimethoxystyryl)-1-methyl- with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Quinolinium, 2-(3,4-dimethoxystyryl)-1-methyl-?
The IUPAC name of Quinolinium, 2-(3,4-dimethoxystyryl)-1-methyl- (CID 5923856) is 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-methylquinolin-1-ium.
What is the SMILES notation for Quinolinium, 2-(3,4-dimethoxystyryl)-1-methyl-?
The canonical SMILES for Quinolinium, 2-(3,4-dimethoxystyryl)-1-methyl- is C[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC(=C(C=C3)OC)OC.
What is the InChIKey of Quinolinium, 2-(3,4-dimethoxystyryl)-1-methyl-?
The InChIKey is IZIPTBVOQVGYLK-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H20NO2/c1-21-17(12-10-16-6-4-5-7-18(16)21)11-8-15-9-13-19(22-2)20(14-15)23-3/h4-14H,1-3H3/q+1/b11-8+.
What are the key properties of Quinolinium, 2-(3,4-dimethoxystyryl)-1-methyl-?
Quinolinium, 2-(3,4-dimethoxystyryl)-1-methyl- has a molecular weight of 306.40 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Quinolinium, 2-(3,4-dimethoxystyryl)-1-methyl- is sourced from PubChem (CID 5923856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).