[(1S)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium

C19H20F2N3O2+ — CID 8688621

IUPAC[(1S)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium
SMILESC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C19H19F2N3O2/c1-11(14-8-7-13(20)9-15(14)21)22-12(2)19(26)24-10-18(25)23-16-5-3-4-6-17(16)24/h3-9,11-12,22H,10H2,1-2H3,(H,23,25)/p+1/t11-,12-/m0/s1
InChIKeyYTOFQQJWLTTYEP-RYUDHWBXSA-O
MW360.38 g/mol
LogP1.96
Rot. Bonds4

About [(1S)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium

[(1S)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium (PubChem CID 8688621) has the molecular formula C19H20F2N3O2+ and a molecular weight of 360.38 g/mol. Its IUPAC name is [(1S)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium.

Molecular Properties

Compound Name[(1S)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium
PubChem CID8688621
Molecular FormulaC19H20F2N3O2+
Molecular Weight360.38 g/mol
Exact Mass360.15
IUPAC Name[(1S)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium
SMILESC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C19H19F2N3O2/c1-11(14-8-7-13(20)9-15(14)21)22-12(2)19(26)24-10-18(25)23-16-5-3-4-6-17(16)24/h3-9,11-12,22H,10H2,1-2H3,(H,23,25)/p+1/t11-,12-/m0/s1
InChIKeyYTOFQQJWLTTYEP-RYUDHWBXSA-O
XLogP1.96
TPSA66.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8728680
4-(4-fluoro-2-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 115745127
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8578040
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-amino-4-fluorobenzoate
CID 27998213
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892
[(1S)-1-(4-bromophenyl)propyl]-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium
CID 8643558
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(2-fluorophenyl)acetate
CID 8958193
4-[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9133688
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(2-fluorophenyl)acetate
CID 8958195
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-fluoro-4-methylbenzoate
CID 9387141

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium?
The IUPAC name of [(1S)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium (CID 8688621) is [(1S)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium.
What is the SMILES notation for [(1S)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium?
The canonical SMILES for [(1S)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium is C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of [(1S)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium?
The InChIKey is YTOFQQJWLTTYEP-RYUDHWBXSA-O. The full InChI is InChI=1S/C19H19F2N3O2/c1-11(14-8-7-13(20)9-15(14)21)22-12(2)19(26)24-10-18(25)23-16-5-3-4-6-17(16)24/h3-9,11-12,22H,10H2,1-2H3,(H,23,25)/p+1/t11-,12-/m0/s1.
What are the key properties of [(1S)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium?
[(1S)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium has a molecular weight of 360.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium is sourced from PubChem (CID 8688621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).