3,4-dimethyl-8-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one

C11H11F3N2O — CID 115095537

IUPAC3,4-dimethyl-8-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
SMILESCC1C(=O)Nc2c(cccc2C(F)(F)F)N1C
InChIInChI=1S/C11H11F3N2O/c1-6-10(17)15-9-7(11(12,13)14)4-3-5-8(9)16(6)2/h3-6H,1-2H3,(H,15,17)
InChIKeyKQCDHMYJCUVDNK-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.48
Rot. Bonds

About 3,4-dimethyl-8-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one

3,4-dimethyl-8-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 115095537) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 3,4-dimethyl-8-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3,4-dimethyl-8-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
PubChem CID115095537
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name3,4-dimethyl-8-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
SMILESCC1C(=O)Nc2c(cccc2C(F)(F)F)N1C
InChIInChI=1S/C11H11F3N2O/c1-6-10(17)15-9-7(11(12,13)14)4-3-5-8(9)16(6)2/h3-6H,1-2H3,(H,15,17)
InChIKeyKQCDHMYJCUVDNK-UHFFFAOYSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-8-tert-butyl-4-methyl-1,3-dihydroquinoxalin-2-one
CID 84632906
3-amino-7-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 53211527
3-methyl-1,1-dioxo-6-(trifluoromethyl)-3,5-dihydro-2H-1λ6,5-benzothiazepin-4-one
CID 115098357
1,3-dimethyl-6-(trifluoromethyl)-2,3,4,5-tetrahydro-1,5-benzodiazepine
CID 115098429
(3aR,9bS)-6-(trifluoromethyl)-1,2,3,3a,5,9b-hexahydropyrrolo[3,4-c]quinolin-4-one
CID 11551052
N-[2-oxo-7-(trifluoromethyl)-1,3-dihydroindol-3-yl]acetamide
CID 2966431
sulfane;(2S)-1,2,5-trimethyl-7-[[1-[1-[2-(trifluoromethyl)phenyl]ethyl]triazol-4-yl]methylamino]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 158458896
(3aS,9bR)-4-methyl-6-(trifluoromethyl)-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one
CID 11638088
1-methyl-4-(trifluoromethyl)-3H-indol-2-one
CID 57380795
7-(trifluoromethyl)-1H-indole-2,3-dione
CID 604575
3-(2-methylpentyl)-7-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 106986976
(5S)-5-acetyl-1-[2-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
CID 98095443

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-8-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 3,4-dimethyl-8-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one (CID 115095537) is 3,4-dimethyl-8-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 3,4-dimethyl-8-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 3,4-dimethyl-8-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one is CC1C(=O)Nc2c(cccc2C(F)(F)F)N1C.
What is the InChIKey of 3,4-dimethyl-8-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is KQCDHMYJCUVDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-6-10(17)15-9-7(11(12,13)14)4-3-5-8(9)16(6)2/h3-6H,1-2H3,(H,15,17).
What are the key properties of 3,4-dimethyl-8-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one?
3,4-dimethyl-8-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 244.22 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-8-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 115095537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).