2-(4-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one

C16H12FN3O — CID 56622162

IUPAC2-(4-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one
SMILESO=C1C(c2ccc(F)cc2)NC2=CN=C3C=CC=CC3N12
InChIInChI=1S/C16H12FN3O/c17-11-7-5-10(6-8-11)15-16(21)20-13-4-2-1-3-12(13)18-9-14(20)19-15/h1-9,13,15,19H
InChIKeyCUYVTJXPVROZSP-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.05
Rot. Bonds1

About 2-(4-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one

2-(4-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one (PubChem CID 56622162) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one
PubChem CID56622162
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name2-(4-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one
SMILESO=C1C(c2ccc(F)cc2)NC2=CN=C3C=CC=CC3N12
InChIInChI=1S/C16H12FN3O/c17-11-7-5-10(6-8-11)15-16(21)20-13-4-2-1-3-12(13)18-9-14(20)19-15/h1-9,13,15,19H
InChIKeyCUYVTJXPVROZSP-UHFFFAOYSA-N
XLogP2.05
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-thiophen-2-yl-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one
CID 123746860
2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 82148274
3-(4-fluorophenyl)-1-methylpiperazine-2,5-dione
CID 45496525
6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one
CID 86649305
1-cyclobutyl-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 115948037
2-[2-(4-fluorophenyl)cyclopentyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 119033802
(2S)-3-cyclopropyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9008606
3-(4-fluorophenyl)-2-pyridin-2-yl-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 4647029
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-4aH-quinazoline-2,4-dione
CID 24871281
3-[(4-aminophenyl)methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 82148999
1-[(1S,6R)-6-(4-fluorophenyl)cyclohexa-2,4-dien-1-yl]-4-methyl-1,2,4-triazolidine-3,5-dione
CID 139316191
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one?
The IUPAC name of 2-(4-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one (CID 56622162) is 2-(4-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one is O=C1C(c2ccc(F)cc2)NC2=CN=C3C=CC=CC3N12.
What is the InChIKey of 2-(4-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one?
The InChIKey is CUYVTJXPVROZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c17-11-7-5-10(6-8-11)15-16(21)20-13-4-2-1-3-12(13)18-9-14(20)19-15/h1-9,13,15,19H.
What are the key properties of 2-(4-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one?
2-(4-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one has a molecular weight of 281.29 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-1-one is sourced from PubChem (CID 56622162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).