cyclopropyl-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium

C22H25FN3O2+ — CID 8978196

IUPACcyclopropyl-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH+](Cc1ccccc1F)C1CC1
InChIInChI=1S/C22H24FN3O2/c1-22(2)21(28)24-18-9-5-6-10-19(18)26(22)20(27)14-25(16-11-12-16)13-15-7-3-4-8-17(15)23/h3-10,16H,11-14H2,1-2H3,(H,24,28)/p+1
InChIKeyJIKYGPTYIBDIQE-UHFFFAOYSA-O
MW382.46 g/mol
LogP2.14
Rot. Bonds5

About cyclopropyl-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium

cyclopropyl-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium (PubChem CID 8978196) has the molecular formula C22H25FN3O2+ and a molecular weight of 382.46 g/mol. Its IUPAC name is cyclopropyl-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Namecyclopropyl-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
PubChem CID8978196
Molecular FormulaC22H25FN3O2+
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Namecyclopropyl-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH+](Cc1ccccc1F)C1CC1
InChIInChI=1S/C22H24FN3O2/c1-22(2)21(28)24-18-9-5-6-10-19(18)26(22)20(27)14-25(16-11-12-16)13-15-7-3-4-8-17(15)23/h3-10,16H,11-14H2,1-2H3,(H,24,28)/p+1
InChIKeyJIKYGPTYIBDIQE-UHFFFAOYSA-O
XLogP2.14
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cyclopropyl-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium with MolForge

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Launch Full Analysis

Related Compounds

3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8903305
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium
CID 9303707
3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8903306
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] cyclohexanecarboxylate
CID 2474950
3,3-dimethyl-4-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8583106
4-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 40881392
4-[2-(2,6-dichlorophenyl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 7466995
(3aR,7aS)-2-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7952230
4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 8899146
4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 120776748
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124006
4-[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 8902382

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium?
The IUPAC name of cyclopropyl-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium (CID 8978196) is cyclopropyl-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium.
What is the SMILES notation for cyclopropyl-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium?
The canonical SMILES for cyclopropyl-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium is CC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH+](Cc1ccccc1F)C1CC1.
What is the InChIKey of cyclopropyl-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium?
The InChIKey is JIKYGPTYIBDIQE-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H24FN3O2/c1-22(2)21(28)24-18-9-5-6-10-19(18)26(22)20(27)14-25(16-11-12-16)13-15-7-3-4-8-17(15)23/h3-10,16H,11-14H2,1-2H3,(H,24,28)/p+1.
What are the key properties of cyclopropyl-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium?
cyclopropyl-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium has a molecular weight of 382.46 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium is sourced from PubChem (CID 8978196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).