3-(2-methoxyphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium

C24H21N2O+ — CID 2313223

IUPAC3-(2-methoxyphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium
SMILESCOc1ccccc1-n1c(-c2ccccc2)c[n+]2c1CCc1ccccc1-2
InChIInChI=1S/C24H21N2O/c1-27-23-14-8-7-13-21(23)26-22(18-9-3-2-4-10-18)17-25-20-12-6-5-11-19(20)15-16-24(25)26/h2-14,17H,15-16H2,1H3/q+1
InChIKeyWYYJSVREMNWIRS-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.53
Rot. Bonds3

About 3-(2-methoxyphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium

3-(2-methoxyphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium (PubChem CID 2313223) has the molecular formula C24H21N2O+ and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium
PubChem CID2313223
Molecular FormulaC24H21N2O+
Molecular Weight353.45 g/mol
Exact Mass353.16
IUPAC Name3-(2-methoxyphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium
SMILESCOc1ccccc1-n1c(-c2ccccc2)c[n+]2c1CCc1ccccc1-2
InChIInChI=1S/C24H21N2O/c1-27-23-14-8-7-13-21(23)26-22(18-9-3-2-4-10-18)17-25-20-12-6-5-11-19(20)15-16-24(25)26/h2-14,17H,15-16H2,1H3/q+1
InChIKeyWYYJSVREMNWIRS-UHFFFAOYSA-N
XLogP4.53
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium?
The IUPAC name of 3-(2-methoxyphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium (CID 2313223) is 3-(2-methoxyphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium?
The canonical SMILES for 3-(2-methoxyphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium is COc1ccccc1-n1c(-c2ccccc2)c[n+]2c1CCc1ccccc1-2.
What is the InChIKey of 3-(2-methoxyphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium?
The InChIKey is WYYJSVREMNWIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N2O/c1-27-23-14-8-7-13-21(23)26-22(18-9-3-2-4-10-18)17-25-20-12-6-5-11-19(20)15-16-24(25)26/h2-14,17H,15-16H2,1H3/q+1.
What are the key properties of 3-(2-methoxyphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium?
3-(2-methoxyphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium has a molecular weight of 353.45 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-phenyl-4,5-dihydroimidazo[1,2-a]quinolin-10-ium is sourced from PubChem (CID 2313223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).