N,1,2-trimethyl-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,4-dihydroquinoxaline-6-carboxamide

C20H20F3N3O3 — CID 166226587

IUPACN,1,2-trimethyl-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,4-dihydroquinoxaline-6-carboxamide
SMILESCC1C(=O)Nc2cc(C(=O)N(C)Cc3ccccc3OC(F)(F)F)ccc2N1C
InChIInChI=1S/C20H20F3N3O3/c1-12-18(27)24-15-10-13(8-9-16(15)26(12)3)19(28)25(2)11-14-6-4-5-7-17(14)29-20(21,22)23/h4-10,12H,11H2,1-3H3,(H,24,27)
InChIKeyZHZIBMYOGBAUDC-UHFFFAOYSA-N
MW407.39 g/mol
LogP3.63
Rot. Bonds4

About N,1,2-trimethyl-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,4-dihydroquinoxaline-6-carboxamide

N,1,2-trimethyl-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,4-dihydroquinoxaline-6-carboxamide (PubChem CID 166226587) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is N,1,2-trimethyl-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN,1,2-trimethyl-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,4-dihydroquinoxaline-6-carboxamide
PubChem CID166226587
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC NameN,1,2-trimethyl-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,4-dihydroquinoxaline-6-carboxamide
SMILESCC1C(=O)Nc2cc(C(=O)N(C)Cc3ccccc3OC(F)(F)F)ccc2N1C
InChIInChI=1S/C20H20F3N3O3/c1-12-18(27)24-15-10-13(8-9-16(15)26(12)3)19(28)25(2)11-14-6-4-5-7-17(14)29-20(21,22)23/h4-10,12H,11H2,1-3H3,(H,24,27)
InChIKeyZHZIBMYOGBAUDC-UHFFFAOYSA-N
XLogP3.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,1,2-trimethyl-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,4-dihydroquinoxaline-6-carboxamide with MolForge

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Related Compounds

N,2-dimethyl-1-methylsulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 46420837
3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52560868
N,1,2-trimethyl-3-oxo-N-(2-pyridin-4-ylethyl)-2,4-dihydroquinoxaline-6-carboxamide
CID 146090860
3-methoxy-N-methyl-4-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 46539241
3-(dimethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38072733
1-ethyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzotriazole-5-carboxamide
CID 38075234
N-methyl-4-(methylsulfonylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38075020
4-(acetamidomethyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38075934
N,1-dimethyl-6-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5-dihydropyridazine-3-carboxamide
CID 38259393
5-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 55550717
4-(cyclopropanecarbonylamino)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38258141
N-methyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 55549734

Frequently Asked Questions

What is the IUPAC name of N,1,2-trimethyl-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N,1,2-trimethyl-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,4-dihydroquinoxaline-6-carboxamide (CID 166226587) is N,1,2-trimethyl-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N,1,2-trimethyl-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N,1,2-trimethyl-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,4-dihydroquinoxaline-6-carboxamide is CC1C(=O)Nc2cc(C(=O)N(C)Cc3ccccc3OC(F)(F)F)ccc2N1C.
What is the InChIKey of N,1,2-trimethyl-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is ZHZIBMYOGBAUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-12-18(27)24-15-10-13(8-9-16(15)26(12)3)19(28)25(2)11-14-6-4-5-7-17(14)29-20(21,22)23/h4-10,12H,11H2,1-3H3,(H,24,27).
What are the key properties of N,1,2-trimethyl-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,4-dihydroquinoxaline-6-carboxamide?
N,1,2-trimethyl-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 407.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,2-trimethyl-3-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 166226587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).