1-(2-ethylhexoxy)-4-phenylquinolin-1-ium

C23H28NO+ — CID 58091757

IUPAC1-(2-ethylhexoxy)-4-phenylquinolin-1-ium
SMILESCCCCC(CC)CO[n+]1ccc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C23H28NO/c1-3-5-11-19(4-2)18-25-24-17-16-21(20-12-7-6-8-13-20)22-14-9-10-15-23(22)24/h6-10,12-17,19H,3-5,11,18H2,1-2H3/q+1
InChIKeyAFXFRSKGDYFWSO-UHFFFAOYSA-N
MW334.48 g/mol
LogP5.44
Rot. Bonds8

About 1-(2-ethylhexoxy)-4-phenylquinolin-1-ium

1-(2-ethylhexoxy)-4-phenylquinolin-1-ium (PubChem CID 58091757) has the molecular formula C23H28NO+ and a molecular weight of 334.48 g/mol. Its IUPAC name is 1-(2-ethylhexoxy)-4-phenylquinolin-1-ium.

Molecular Properties

Compound Name1-(2-ethylhexoxy)-4-phenylquinolin-1-ium
PubChem CID58091757
Molecular FormulaC23H28NO+
Molecular Weight334.48 g/mol
Exact Mass334.22
IUPAC Name1-(2-ethylhexoxy)-4-phenylquinolin-1-ium
SMILESCCCCC(CC)CO[n+]1ccc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C23H28NO/c1-3-5-11-19(4-2)18-25-24-17-16-21(20-12-7-6-8-13-20)22-14-9-10-15-23(22)24/h6-10,12-17,19H,3-5,11,18H2,1-2H3/q+1
InChIKeyAFXFRSKGDYFWSO-UHFFFAOYSA-N
XLogP5.44
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.48
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-ethylhexoxy)-4-phenylquinolin-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

5-(2-ethylhexoxy)phenanthridin-5-ium
CID 59705430
1-(2-ethylhexoxy)pyridin-1-ium-2-carboxylic acid
CID 58571820
1-(2-ethylhexoxy)benzo[h]quinolin-1-ium
CID 59705415
1-(2-ethylhexoxy)-4-methoxy-2,5-diphenylbenzene
CID 86054724
10-(2-ethylhexoxy)-9-phenylacridin-10-ium;4-methylbenzenesulfonate
CID 158921584
tetrakis(2-ethylhexyl) 5-phenylbenzene-1,2,3,4-tetracarboxylate
CID 139855031
tris[2-(2-ethylhexyl)-6-phenylphenyl] phosphate
CID 141000923
2-(2-ethylhexoxy)-N-methyl-2-phenylethanamine
CID 62110716
2-ethylhexoxybenzene;methoxyboronic acid
CID 23293414
1-bromo-3-(2-ethylhexoxy)-2-phenylbenzene
CID 172726737
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
CID 174494301
CID 174494301

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexoxy)-4-phenylquinolin-1-ium?
The IUPAC name of 1-(2-ethylhexoxy)-4-phenylquinolin-1-ium (CID 58091757) is 1-(2-ethylhexoxy)-4-phenylquinolin-1-ium.
What is the SMILES notation for 1-(2-ethylhexoxy)-4-phenylquinolin-1-ium?
The canonical SMILES for 1-(2-ethylhexoxy)-4-phenylquinolin-1-ium is CCCCC(CC)CO[n+]1ccc(-c2ccccc2)c2ccccc21.
What is the InChIKey of 1-(2-ethylhexoxy)-4-phenylquinolin-1-ium?
The InChIKey is AFXFRSKGDYFWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28NO/c1-3-5-11-19(4-2)18-25-24-17-16-21(20-12-7-6-8-13-20)22-14-9-10-15-23(22)24/h6-10,12-17,19H,3-5,11,18H2,1-2H3/q+1.
What are the key properties of 1-(2-ethylhexoxy)-4-phenylquinolin-1-ium?
1-(2-ethylhexoxy)-4-phenylquinolin-1-ium has a molecular weight of 334.48 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexoxy)-4-phenylquinolin-1-ium is sourced from PubChem (CID 58091757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).