N-(2-ethylphenyl)-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide

C18H14FN5O2 — CID 53170792

IUPACN-(2-ethylphenyl)-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
InChIInChI=1S/C18H14FN5O2/c1-2-10-5-3-4-6-12(10)20-17(25)15-16-18(26)21-13-9-11(19)7-8-14(13)24(16)23-22-15/h3-9H,2H2,1H3,(H,20,25)(H,21,26)
InChIKeyDXBUOWQJZOFXJS-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.52
Rot. Bonds3

About N-(2-ethylphenyl)-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide

N-(2-ethylphenyl)-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (PubChem CID 53170792) has the molecular formula C18H14FN5O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is N-(2-ethylphenyl)-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
PubChem CID53170792
Molecular FormulaC18H14FN5O2
Molecular Weight351.34 g/mol
Exact Mass351.11
IUPAC NameN-(2-ethylphenyl)-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
InChIInChI=1S/C18H14FN5O2/c1-2-10-5-3-4-6-12(10)20-17(25)15-16-18(26)21-13-9-11(19)7-8-14(13)24(16)23-22-15/h3-9H,2H2,1H3,(H,20,25)(H,21,26)
InChIKeyDXBUOWQJZOFXJS-UHFFFAOYSA-N
XLogP2.52
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-fluoro-N-(2-methoxy-5-methylphenyl)-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170768
N,N-diethyl-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170808
N-[(4-chlorophenyl)methyl]-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170785
N-[(2,4-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170857
N-[(2,5-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170885
N-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195424
4-oxo-N-pentan-3-yl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170903
7-methyl-4-oxo-N-(2-phenylpropyl)-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170844
N-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8557124
N-(2-ethylphenyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66497727
1-N-(2,4-difluorophenyl)-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049743
N-(2-ethylphenyl)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methyltriazole-4-carboxamide
CID 53366240

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (CID 53170792) is N-(2-ethylphenyl)-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is CCc1ccccc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12.
What is the InChIKey of N-(2-ethylphenyl)-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The InChIKey is DXBUOWQJZOFXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2/c1-2-10-5-3-4-6-12(10)20-17(25)15-16-18(26)21-13-9-11(19)7-8-14(13)24(16)23-22-15/h3-9H,2H2,1H3,(H,20,25)(H,21,26).
What are the key properties of N-(2-ethylphenyl)-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
N-(2-ethylphenyl)-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide has a molecular weight of 351.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is sourced from PubChem (CID 53170792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).