6-(4-chlorophenyl)-4-ethyl-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione

C17H12ClF3N2O2 — CID 139819990

IUPAC6-(4-chlorophenyl)-4-ethyl-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C17H12ClF3N2O2/c1-2-23-14-7-11(9-3-5-10(18)6-4-9)12(17(19,20)21)8-13(14)22-15(24)16(23)25/h3-8H,2H2,1H3,(H,22,24)
InChIKeyKPPPWEMYLDRZDW-UHFFFAOYSA-N
MW368.74 g/mol
LogP4.05
Rot. Bonds2

About 6-(4-chlorophenyl)-4-ethyl-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione

6-(4-chlorophenyl)-4-ethyl-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione (PubChem CID 139819990) has the molecular formula C17H12ClF3N2O2 and a molecular weight of 368.74 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-ethyl-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-ethyl-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione
PubChem CID139819990
Molecular FormulaC17H12ClF3N2O2
Molecular Weight368.74 g/mol
Exact Mass368.05
IUPAC Name6-(4-chlorophenyl)-4-ethyl-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-c3ccc(Cl)cc3)cc21
InChIInChI=1S/C17H12ClF3N2O2/c1-2-23-14-7-11(9-3-5-10(18)6-4-9)12(17(19,20)21)8-13(14)22-15(24)16(23)25/h3-8H,2H2,1H3,(H,22,24)
InChIKeyKPPPWEMYLDRZDW-UHFFFAOYSA-N
XLogP4.05
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.74
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(4-chlorophenyl)-4-ethyl-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide
CID 2874849
N-(2-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 4647384
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 8071321
4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
CID 2109019
2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-(2,4-difluorophenyl)acetamide
CID 2117758
2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-ethylacetamide
CID 2441441
N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
CID 2468496
2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-tert-butylacetamide
CID 2494142
4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-dihydroquinoxalin-2-one
CID 6224252
N-{2-[(4-chlorobenzyl)amino]-2-oxoethyl}-3-hydroxyquinoxaline-1(2H)-carboxamide
CID 8057236
2-[4-(4-chlorophenyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 155511803
4-[2-[(4-Chlorophenyl)methylamino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 2095480

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-ethyl-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
The IUPAC name of 6-(4-chlorophenyl)-4-ethyl-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione (CID 139819990) is 6-(4-chlorophenyl)-4-ethyl-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 6-(4-chlorophenyl)-4-ethyl-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
The canonical SMILES for 6-(4-chlorophenyl)-4-ethyl-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione is CCn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-c3ccc(Cl)cc3)cc21.
What is the InChIKey of 6-(4-chlorophenyl)-4-ethyl-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
The InChIKey is KPPPWEMYLDRZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O2/c1-2-23-14-7-11(9-3-5-10(18)6-4-9)12(17(19,20)21)8-13(14)22-15(24)16(23)25/h3-8H,2H2,1H3,(H,22,24).
What are the key properties of 6-(4-chlorophenyl)-4-ethyl-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
6-(4-chlorophenyl)-4-ethyl-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione has a molecular weight of 368.74 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-ethyl-7-(trifluoromethyl)-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 139819990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).