2-(3-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one

C16H13FN3O+ — CID 123170753

IUPAC2-(3-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one
SMILESO=C1C(c2cccc(F)c2)NC2=C[NH+]=C3C=CC=CC3N12
InChIInChI=1S/C16H12FN3O/c17-11-5-3-4-10(8-11)15-16(21)20-13-7-2-1-6-12(13)18-9-14(20)19-15/h1-9,13,15,19H/p+1
InChIKeyHAUWIQZUCKQGOY-UHFFFAOYSA-O
MW282.30 g/mol
LogP0.13
Rot. Bonds1

About 2-(3-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one

2-(3-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one (PubChem CID 123170753) has the molecular formula C16H13FN3O+ and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one
PubChem CID123170753
Molecular FormulaC16H13FN3O+
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-(3-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one
SMILESO=C1C(c2cccc(F)c2)NC2=C[NH+]=C3C=CC=CC3N12
InChIInChI=1S/C16H12FN3O/c17-11-5-3-4-10(8-11)15-16(21)20-13-7-2-1-6-12(13)18-9-14(20)19-15/h1-9,13,15,19H/p+1
InChIKeyHAUWIQZUCKQGOY-UHFFFAOYSA-O
XLogP0.13
TPSA46.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4798843
N-[(4-Fluorophenyl)methyl]-2-{2-oxo-3-phenyl-1,4-diazaspiro[4.4]non-3-EN-1-YL}acetamide
CID 91891068
2-phenyl-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-3-one
CID 4201045
2-methyl-6-phenyl-2,5-dihydro-1H-imidazo[1,2-a]pyrazin-7-ium-3-one
CID 92045188
2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dimethylacetamide
CID 3330348
N-[(4-fluorophenyl)methyl]-2-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}acetamide
CID 4068867
N-[(4-fluorophenyl)methyl]-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide
CID 4068869
(5S)-5-benzyl-3-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 51640261
4-(2-Fluorophenyl)-2,5,8-triazatricyclo[7.5.0.02,6]tetradeca-4,6,8,11,13-pentaen-3-one
CID 57311158
(2R)-2-tert-butyl-5-(4-fluorophenyl)-3-methylimidazolidin-4-one
CID 59904868
N-[[4-(3,4-dihydropyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3,5-difluorobenzamide
CID 69716810
N-[[4-(3,4-dihydropyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-3,4-difluorobenzamide
CID 69717938

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one?
The IUPAC name of 2-(3-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one (CID 123170753) is 2-(3-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one.
What is the SMILES notation for 2-(3-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one?
The canonical SMILES for 2-(3-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one is O=C1C(c2cccc(F)c2)NC2=C[NH+]=C3C=CC=CC3N12.
What is the InChIKey of 2-(3-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one?
The InChIKey is HAUWIQZUCKQGOY-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H12FN3O/c17-11-5-3-4-10(8-11)15-16(21)20-13-7-2-1-6-12(13)18-9-14(20)19-15/h1-9,13,15,19H/p+1.
What are the key properties of 2-(3-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one?
2-(3-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one has a molecular weight of 282.30 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one is sourced from PubChem (CID 123170753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).