ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium

C20H23FN3O3+ — CID 9349297

IUPACethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
SMILESCC[NH+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C20H22FN3O3/c1-3-23(11-14-8-9-18(27-2)15(21)10-14)13-20(26)24-12-19(25)22-16-6-4-5-7-17(16)24/h4-10H,3,11-13H2,1-2H3,(H,22,25)/p+1
InChIKeyVIXFLMRRXRLHPE-UHFFFAOYSA-O
MW372.42 g/mol
LogP1.22
Rot. Bonds6

About ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium

ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium (PubChem CID 9349297) has the molecular formula C20H23FN3O3+ and a molecular weight of 372.42 g/mol. Its IUPAC name is ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium.

Molecular Properties

Compound Nameethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
PubChem CID9349297
Molecular FormulaC20H23FN3O3+
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Nameethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
SMILESCC[NH+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C20H22FN3O3/c1-3-23(11-14-8-9-18(27-2)15(21)10-14)13-20(26)24-12-19(25)22-16-6-4-5-7-17(16)24/h4-10H,3,11-13H2,1-2H3,(H,22,25)/p+1
InChIKeyVIXFLMRRXRLHPE-UHFFFAOYSA-O
XLogP1.22
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium with MolForge

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Related Compounds

4-[2-(3-fluoro-4-methoxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 17462364
4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9349298
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
CID 9349421
4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 30713300
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 8805466
4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860602
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 3902357
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-fluorophenyl)acetate
CID 7758909
4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione
CID 66083020
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,5-dimethoxybenzoate
CID 7561082
4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 55350333
4-(2,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16864034

Frequently Asked Questions

What is the IUPAC name of ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium?
The IUPAC name of ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium (CID 9349297) is ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium.
What is the SMILES notation for ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium?
The canonical SMILES for ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium is CC[NH+](CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccc(OC)c(F)c1.
What is the InChIKey of ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium?
The InChIKey is VIXFLMRRXRLHPE-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22FN3O3/c1-3-23(11-14-8-9-18(27-2)15(21)10-14)13-20(26)24-12-19(25)22-16-6-4-5-7-17(16)24/h4-10H,3,11-13H2,1-2H3,(H,22,25)/p+1.
What are the key properties of ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium?
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium has a molecular weight of 372.42 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium is sourced from PubChem (CID 9349297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).