N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide

C20H19F3N4O3 — CID 50792045

IUPACN-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide
SMILESCN(C)c1cc2c(cc1NC(=O)c1ccc(C(F)(F)F)cc1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C20H19F3N4O3/c1-25(2)14-10-16-15(26(3)18(29)19(30)27(16)4)9-13(14)24-17(28)11-5-7-12(8-6-11)20(21,22)23/h5-10H,1-4H3,(H,24,28)
InChIKeyAMMRPPNMJHYENV-UHFFFAOYSA-N
MW420.39 g/mol
LogP2.57
Rot. Bonds3

About N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide

N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide (PubChem CID 50792045) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide
PubChem CID50792045
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC NameN-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide
SMILESCN(C)c1cc2c(cc1NC(=O)c1ccc(C(F)(F)F)cc1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C20H19F3N4O3/c1-25(2)14-10-16-15(26(3)18(29)19(30)27(16)4)9-13(14)24-17(28)11-5-7-12(8-6-11)20(21,22)23/h5-10H,1-4H3,(H,24,28)
InChIKeyAMMRPPNMJHYENV-UHFFFAOYSA-N
XLogP2.57
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
CID 17252033
N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide
CID 50792140
N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide
CID 17252021
N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide
CID 17252034
N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 50824443
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
CID 39095106
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 51152139
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 71881491
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134000118
N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide
CID 113092466
4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)benzamide
CID 50793171
4-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 26181661

Frequently Asked Questions

What is the IUPAC name of N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide (CID 50792045) is N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide is CN(C)c1cc2c(cc1NC(=O)c1ccc(C(F)(F)F)cc1)n(C)c(=O)c(=O)n2C.
What is the InChIKey of N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is AMMRPPNMJHYENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c1-25(2)14-10-16-15(26(3)18(29)19(30)27(16)4)9-13(14)24-17(28)11-5-7-12(8-6-11)20(21,22)23/h5-10H,1-4H3,(H,24,28).
What are the key properties of N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide?
N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 420.39 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 50792045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).