1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide

C19H16F3N3O3 — CID 24536906

IUPAC1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C19H16F3N3O3/c1-2-25-15-7-6-12(9-14(15)24-17(27)18(25)28)16(26)23-10-11-4-3-5-13(8-11)19(20,21)22/h3-9H,2,10H2,1H3,(H,23,26)(H,24,27)
InChIKeyTXJIGCYOXLTBTE-UHFFFAOYSA-N
MW391.35 g/mol
LogP2.66
Rot. Bonds4

About 1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide

1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide (PubChem CID 24536906) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is 1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide
PubChem CID24536906
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Name1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc21
InChIInChI=1S/C19H16F3N3O3/c1-2-25-15-7-6-12(9-14(15)24-17(27)18(25)28)16(26)23-10-11-4-3-5-13(8-11)19(20,21)22/h3-9H,2,10H2,1H3,(H,23,26)(H,24,27)
InChIKeyTXJIGCYOXLTBTE-UHFFFAOYSA-N
XLogP2.66
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide with MolForge

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Related Compounds

1-ethyl-N-[(3-methylphenyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 33279242
1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 47020508
1-ethyl-N-(1H-indol-2-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 167771108
1-ethyl-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 41263056
1-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 35858767
1-ethyl-2,3-dioxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4H-quinoxaline-6-carboxamide
CID 27742876
1-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 134027715
1-ethyl-2,3-dioxo-N-(2-pyridin-3-ylethyl)-4H-quinoxaline-6-carboxamide
CID 39560436
1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 120653143
N-[(2S)-butan-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2557057
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-(1-amino-2-methylpropan-2-yl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 119523999

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide (CID 24536906) is 1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc21.
What is the InChIKey of 1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide?
The InChIKey is TXJIGCYOXLTBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c1-2-25-15-7-6-12(9-14(15)24-17(27)18(25)28)16(26)23-10-11-4-3-5-13(8-11)19(20,21)22/h3-9H,2,10H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide?
1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 24536906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).