2-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-oxidoquinolin-1-ium

C18H15NO2 — CID 18527793

IUPAC2-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-oxidoquinolin-1-ium
SMILESCOc1ccc(/C=C\c2ccc3ccccc3[n+]2[O-])cc1
InChIInChI=1S/C18H15NO2/c1-21-17-12-7-14(8-13-17)6-10-16-11-9-15-4-2-3-5-18(15)19(16)20/h2-13H,1H3/b10-6-
InChIKeyPRYRPXHPCFQOIU-POHAHGRESA-N
MW277.32 g/mol
LogP3.65
Rot. Bonds3

About 2-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-oxidoquinolin-1-ium

2-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-oxidoquinolin-1-ium (PubChem CID 18527793) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-oxidoquinolin-1-ium.

Molecular Properties

Compound Name2-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-oxidoquinolin-1-ium
PubChem CID18527793
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-oxidoquinolin-1-ium
SMILESCOc1ccc(/C=C\c2ccc3ccccc3[n+]2[O-])cc1
InChIInChI=1S/C18H15NO2/c1-21-17-12-7-14(8-13-17)6-10-16-11-9-15-4-2-3-5-18(15)19(16)20/h2-13H,1H3/b10-6-
InChIKeyPRYRPXHPCFQOIU-POHAHGRESA-N
XLogP3.65
TPSA36.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-oxidoquinolin-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-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
2-[2-[4-(2,2-dimethoxyethoxy)phenyl]ethenyl]-1-methylquinolin-1-ium iodide
CID 70577732
1-methoxy-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium
CID 54212311
2-methoxy-5-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenol;iodide;hydrate
CID 139071916
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide
CID 126960038
6-ethoxy-2-[2-(4-methoxyphenyl)ethenyl]-1-methylquinolin-1-ium
CID 4155025
2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium
CID 2855579
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
2-[2-(4-methoxyphenyl)ethenyl]-1-methyl-4,6-diphenylpyridin-1-ium perchlorate
CID 2855578
2-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1-methylquinolin-1-ium iodide
CID 118736714
4-[2-(6-methoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline
CID 74830862

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-oxidoquinolin-1-ium?
The IUPAC name of 2-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-oxidoquinolin-1-ium (CID 18527793) is 2-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-oxidoquinolin-1-ium.
What is the SMILES notation for 2-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-oxidoquinolin-1-ium?
The canonical SMILES for 2-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-oxidoquinolin-1-ium is COc1ccc(/C=C\c2ccc3ccccc3[n+]2[O-])cc1.
What is the InChIKey of 2-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-oxidoquinolin-1-ium?
The InChIKey is PRYRPXHPCFQOIU-POHAHGRESA-N. The full InChI is InChI=1S/C18H15NO2/c1-21-17-12-7-14(8-13-17)6-10-16-11-9-15-4-2-3-5-18(15)19(16)20/h2-13H,1H3/b10-6-.
What are the key properties of 2-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-oxidoquinolin-1-ium?
2-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-oxidoquinolin-1-ium has a molecular weight of 277.32 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(4-methoxyphenyl)ethenyl]-1-oxidoquinolin-1-ium is sourced from PubChem (CID 18527793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).