4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide

C18H14F3N3O2 — CID 46365060

IUPAC4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2cccc(C(F)(F)F)c2)nc2ccccc21
InChIInChI=1S/C18H14F3N3O2/c1-2-24-14-9-4-3-8-13(14)23-15(17(24)26)16(25)22-12-7-5-6-11(10-12)18(19,20)21/h3-10H,2H2,1H3,(H,22,25)
InChIKeyBSWPGWXPESTGKT-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.69
Rot. Bonds3

About 4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide

4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide (PubChem CID 46365060) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
PubChem CID46365060
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2cccc(C(F)(F)F)c2)nc2ccccc21
InChIInChI=1S/C18H14F3N3O2/c1-2-24-14-9-4-3-8-13(14)23-15(17(24)26)16(25)22-12-7-5-6-11(10-12)18(19,20)21/h3-10H,2H2,1H3,(H,22,25)
InChIKeyBSWPGWXPESTGKT-UHFFFAOYSA-N
XLogP3.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(propylamino)-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 46365322
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 84572802
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 124830464
N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide
CID 50808152
2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17031747
2-(2-cyclopropylbenzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17028781
1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46382209
1-ethyl-N'-[3-(trifluoromethyl)phenyl]indole-2-carbohydrazide
CID 56519892
N-[(2-chlorophenyl)methyl]-4-ethyl-3-oxoquinoxaline-2-carboxamide
CID 50808141
2-chloro-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029844
2-methyl-N-[1-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029795
2-[2-(3-methylphenyl)-4-oxoquinazolin-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126476982

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide?
The IUPAC name of 4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide (CID 46365060) is 4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide.
What is the SMILES notation for 4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide?
The canonical SMILES for 4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide is CCn1c(=O)c(C(=O)Nc2cccc(C(F)(F)F)c2)nc2ccccc21.
What is the InChIKey of 4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide?
The InChIKey is BSWPGWXPESTGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-2-24-14-9-4-3-8-13(14)23-15(17(24)26)16(25)22-12-7-5-6-11(10-12)18(19,20)21/h3-10H,2H2,1H3,(H,22,25).
What are the key properties of 4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide?
4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide has a molecular weight of 361.32 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 46365060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).