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

C22H23F3N4O3 — CID 50792140

IUPACN-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide
SMILESCCN(CC)c1cc2c(cc1NC(=O)c1ccc(C(F)(F)F)cc1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C22H23F3N4O3/c1-5-29(6-2)16-12-18-17(27(3)20(31)21(32)28(18)4)11-15(16)26-19(30)13-7-9-14(10-8-13)22(23,24)25/h7-12H,5-6H2,1-4H3,(H,26,30)
InChIKeyKLNFPCIZBBJGBZ-UHFFFAOYSA-N
MW448.45 g/mol
LogP3.35
Rot. Bonds5

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

N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide (PubChem CID 50792140) has the molecular formula C22H23F3N4O3 and a molecular weight of 448.45 g/mol. Its IUPAC name is N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide
PubChem CID50792140
Molecular FormulaC22H23F3N4O3
Molecular Weight448.45 g/mol
Exact Mass448.17
IUPAC NameN-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide
SMILESCCN(CC)c1cc2c(cc1NC(=O)c1ccc(C(F)(F)F)cc1)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C22H23F3N4O3/c1-5-29(6-2)16-12-18-17(27(3)20(31)21(32)28(18)4)11-15(16)26-19(30)13-7-9-14(10-8-13)22(23,24)25/h7-12H,5-6H2,1-4H3,(H,26,30)
InChIKeyKLNFPCIZBBJGBZ-UHFFFAOYSA-N
XLogP3.35
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 53.35
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

N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide
CID 50792045
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]thiophene-2-carboxamide
CID 50792193
2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
CID 50792040
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149648
N-(1,3-dimethyl-2-oxo-6-propan-2-ylsulfonylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 50824443
N-[5-amino-2-(diethylamino)phenyl]-4-fluorobenzamide
CID 91675984
N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide
CID 17252021
1-benzyl-N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-6-oxopyridazine-3-carboxamide
CID 30997583
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 25414352
N-[2-(diethylamino)-5-(trifluoromethyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 43040075
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-(trifluoromethyl)benzamide
CID 122296604

Frequently Asked Questions

What is the IUPAC name of N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide (CID 50792140) is N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide is CCN(CC)c1cc2c(cc1NC(=O)c1ccc(C(F)(F)F)cc1)n(C)c(=O)c(=O)n2C.
What is the InChIKey of N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is KLNFPCIZBBJGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3/c1-5-29(6-2)16-12-18-17(27(3)20(31)21(32)28(18)4)11-15(16)26-19(30)13-7-9-14(10-8-13)22(23,24)25/h7-12H,5-6H2,1-4H3,(H,26,30).
What are the key properties of N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide?
N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 448.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 50792140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).