2-(2,4-difluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one

C16H12F2N3O+ — CID 123667773

IUPAC2-(2,4-difluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one
SMILESO=C1C(c2ccc(F)cc2F)NC2=C[NH+]=C3C=CC=CC3N12
InChIInChI=1S/C16H11F2N3O/c17-9-5-6-10(11(18)7-9)15-16(22)21-13-4-2-1-3-12(13)19-8-14(21)20-15/h1-8,13,15,20H/p+1
InChIKeySTCTXWVOQIOHNZ-UHFFFAOYSA-O
MW300.29 g/mol
LogP0.27
Rot. Bonds1

About 2-(2,4-difluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one

2-(2,4-difluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one (PubChem CID 123667773) has the molecular formula C16H12F2N3O+ and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one
PubChem CID123667773
Molecular FormulaC16H12F2N3O+
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name2-(2,4-difluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one
SMILESO=C1C(c2ccc(F)cc2F)NC2=C[NH+]=C3C=CC=CC3N12
InChIInChI=1S/C16H11F2N3O/c17-9-5-6-10(11(18)7-9)15-16(22)21-13-4-2-1-3-12(13)19-8-14(21)20-15/h1-8,13,15,20H/p+1
InChIKeySTCTXWVOQIOHNZ-UHFFFAOYSA-O
XLogP0.27
TPSA46.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one?
The IUPAC name of 2-(2,4-difluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one (CID 123667773) is 2-(2,4-difluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one.
What is the SMILES notation for 2-(2,4-difluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one?
The canonical SMILES for 2-(2,4-difluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one is O=C1C(c2ccc(F)cc2F)NC2=C[NH+]=C3C=CC=CC3N12.
What is the InChIKey of 2-(2,4-difluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one?
The InChIKey is STCTXWVOQIOHNZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H11F2N3O/c17-9-5-6-10(11(18)7-9)15-16(22)21-13-4-2-1-3-12(13)19-8-14(21)20-15/h1-8,13,15,20H/p+1.
What are the key properties of 2-(2,4-difluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one?
2-(2,4-difluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one has a molecular weight of 300.29 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one is sourced from PubChem (CID 123667773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).