1-(4-fluorophenyl)-2-(8-hydroxyquinolin-1-ium-1-yl)ethanone

C17H13FNO2+ — CID 53315722

IUPAC1-(4-fluorophenyl)-2-(8-hydroxyquinolin-1-ium-1-yl)ethanone
SMILESO=C(C[n+]1cccc2cccc(O)c21)c1ccc(F)cc1
InChIInChI=1S/C17H12FNO2/c18-14-8-6-12(7-9-14)16(21)11-19-10-2-4-13-3-1-5-15(20)17(13)19/h1-10H,11H2/p+1
InChIKeySQJYGFFMMNTCFI-UHFFFAOYSA-O
MW282.29 g/mol
LogP2.85
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(8-hydroxyquinolin-1-ium-1-yl)ethanone

1-(4-fluorophenyl)-2-(8-hydroxyquinolin-1-ium-1-yl)ethanone (PubChem CID 53315722) has the molecular formula C17H13FNO2+ and a molecular weight of 282.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(8-hydroxyquinolin-1-ium-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(8-hydroxyquinolin-1-ium-1-yl)ethanone
PubChem CID53315722
Molecular FormulaC17H13FNO2+
Molecular Weight282.29 g/mol
Exact Mass282.09
IUPAC Name1-(4-fluorophenyl)-2-(8-hydroxyquinolin-1-ium-1-yl)ethanone
SMILESO=C(C[n+]1cccc2cccc(O)c21)c1ccc(F)cc1
InChIInChI=1S/C17H12FNO2/c18-14-8-6-12(7-9-14)16(21)11-19-10-2-4-13-3-1-5-15(20)17(13)19/h1-10H,11H2/p+1
InChIKeySQJYGFFMMNTCFI-UHFFFAOYSA-O
XLogP2.85
TPSA41.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
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 1-(4-fluorophenyl)-2-(8-hydroxyquinolin-1-ium-1-yl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(8-hydroxyquinolin-1-ium-1-yl)ethanone (CID 53315722) is 1-(4-fluorophenyl)-2-(8-hydroxyquinolin-1-ium-1-yl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(8-hydroxyquinolin-1-ium-1-yl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(8-hydroxyquinolin-1-ium-1-yl)ethanone is O=C(C[n+]1cccc2cccc(O)c21)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(8-hydroxyquinolin-1-ium-1-yl)ethanone?
The InChIKey is SQJYGFFMMNTCFI-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H12FNO2/c18-14-8-6-12(7-9-14)16(21)11-19-10-2-4-13-3-1-5-15(20)17(13)19/h1-10H,11H2/p+1.
What are the key properties of 1-(4-fluorophenyl)-2-(8-hydroxyquinolin-1-ium-1-yl)ethanone?
1-(4-fluorophenyl)-2-(8-hydroxyquinolin-1-ium-1-yl)ethanone has a molecular weight of 282.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(8-hydroxyquinolin-1-ium-1-yl)ethanone is sourced from PubChem (CID 53315722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).