[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]azanium

C20H22F2N3O2+ — CID 9375826

IUPAC[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C20H21F2N3O2/c1-12(13-8-9-14(21)15(22)10-13)23-11-18(26)25-17-7-5-4-6-16(17)24-19(27)20(25,2)3/h4-10,12,23H,11H2,1-3H3,(H,24,27)/p+1/t12-/m1/s1
InChIKeyHQURVCYOHQRPCD-GFCCVEGCSA-O
MW374.41 g/mol
LogP2.35
Rot. Bonds4

About [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]azanium

[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]azanium (PubChem CID 9375826) has the molecular formula C20H22F2N3O2+ and a molecular weight of 374.41 g/mol. Its IUPAC name is [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]azanium
PubChem CID9375826
Molecular FormulaC20H22F2N3O2+
Molecular Weight374.41 g/mol
Exact Mass374.17
IUPAC Name[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C20H21F2N3O2/c1-12(13-8-9-14(21)15(22)10-13)23-11-18(26)25-17-7-5-4-6-16(17)24-19(27)20(25,2)3/h4-10,12,23H,11H2,1-3H3,(H,24,27)/p+1/t12-/m1/s1
InChIKeyHQURVCYOHQRPCD-GFCCVEGCSA-O
XLogP2.35
TPSA66.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 16609221
4-[2-(3-chloro-4-fluorophenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 8579883
4-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 9307521
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 2-chloro-4,5-difluorobenzoate
CID 7382604
3,3-dimethyl-4-[2-(2,3,5,6-tetramethylphenyl)sulfanylacetyl]-1H-quinoxalin-2-one
CID 7468587
[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium
CID 9348672
4-[2-(2,6-dichlorophenyl)sulfanylacetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 7466995
3,3-dimethyl-4-[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]-1H-quinoxalin-2-one
CID 9392167
[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8638123
3,3-dimethyl-4-[2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetyl]-1H-quinoxalin-2-one
CID 7489706
cyclopropyl-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-[(2-fluorophenyl)methyl]azanium
CID 8978196
4-[2-(2-acetyl-4-chlorophenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 7167738

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]azanium (CID 9375826) is [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]azanium is C[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C1(C)C)c1ccc(F)c(F)c1.
What is the InChIKey of [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]azanium?
The InChIKey is HQURVCYOHQRPCD-GFCCVEGCSA-O. The full InChI is InChI=1S/C20H21F2N3O2/c1-12(13-8-9-14(21)15(22)10-13)23-11-18(26)25-17-7-5-4-6-16(17)24-19(27)20(25,2)3/h4-10,12,23H,11H2,1-3H3,(H,24,27)/p+1/t12-/m1/s1.
What are the key properties of [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]azanium?
[(1R)-1-(3,4-difluorophenyl)ethyl]-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]azanium has a molecular weight of 374.41 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3,4-difluorophenyl)ethyl]-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]azanium is sourced from PubChem (CID 9375826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).