1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one

C11H11F3N2O — CID 84631097

IUPAC1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one
SMILESCCN1C(=O)CNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C11H11F3N2O/c1-2-16-9-5-7(11(12,13)14)3-4-8(9)15-6-10(16)17/h3-5,15H,2,6H2,1H3
InChIKeyAJHGGXVMKYCVHQ-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.48
Rot. Bonds1

About 1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one

1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one (PubChem CID 84631097) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one
PubChem CID84631097
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one
SMILESCCN1C(=O)CNc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C11H11F3N2O/c1-2-16-9-5-7(11(12,13)14)3-4-8(9)15-6-10(16)17/h3-5,15H,2,6H2,1H3
InChIKeyAJHGGXVMKYCVHQ-UHFFFAOYSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

7-tert-butyl-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84632527
1-ethyl-6-(trifluoromethyl)-3H-indol-2-one
CID 117206073
1-[2-fluoro-5-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64955693
7-methoxy-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84623560
7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84624682
3,3-diethyl-7-(trifluoromethyl)-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115502358
1-[2-chloro-4-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956068
1-methyl-7-(trifluoromethyl)-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 84631098
5-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 115098556
4-butyl-3-oxo-1,2-dihydroquinoxaline-6-carbonitrile
CID 117007007
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-2,5-dione
CID 64884561
1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-2,5-dione
CID 64883374

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one (CID 84631097) is 1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one is CCN1C(=O)CNc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one?
The InChIKey is AJHGGXVMKYCVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-2-16-9-5-7(11(12,13)14)3-4-8(9)15-6-10(16)17/h3-5,15H,2,6H2,1H3.
What are the key properties of 1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one?
1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one has a molecular weight of 244.22 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 84631097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).