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

C18H14FN5O3 — CID 53170768

IUPAC7-fluoro-N-(2-methoxy-5-methylphenyl)-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
InChIInChI=1S/C18H14FN5O3/c1-9-3-6-14(27-2)12(7-9)21-17(25)15-16-18(26)20-11-8-10(19)4-5-13(11)24(16)23-22-15/h3-8H,1-2H3,(H,20,26)(H,21,25)
InChIKeyMPIMMFQQPQYQFC-UHFFFAOYSA-N
MW367.34 g/mol
LogP2.28
Rot. Bonds3

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

7-fluoro-N-(2-methoxy-5-methylphenyl)-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (PubChem CID 53170768) has the molecular formula C18H14FN5O3 and a molecular weight of 367.34 g/mol. Its IUPAC name is 7-fluoro-N-(2-methoxy-5-methylphenyl)-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(2-methoxy-5-methylphenyl)-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
PubChem CID53170768
Molecular FormulaC18H14FN5O3
Molecular Weight367.34 g/mol
Exact Mass367.11
IUPAC Name7-fluoro-N-(2-methoxy-5-methylphenyl)-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
InChIInChI=1S/C18H14FN5O3/c1-9-3-6-14(27-2)12(7-9)21-17(25)15-16-18(26)20-11-8-10(19)4-5-13(11)24(16)23-22-15/h3-8H,1-2H3,(H,20,26)(H,21,25)
InChIKeyMPIMMFQQPQYQFC-UHFFFAOYSA-N
XLogP2.28
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-N-(2-methoxy-5-methylphenyl)-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide with MolForge

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Related Compounds

N-(2-ethylphenyl)-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170792
N-[(2,5-difluorophenyl)methyl]-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
CID 53170885
5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204627
N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2144859
3-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19514461
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44998456
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)propanediamide
CID 108955812
ethyl 1-(4-fluorophenyl)-4-[2-(2-methoxy-5-methylanilino)-2-oxoethoxy]-6-oxopyridazine-3-carboxylate
CID 18579881
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8557166
3-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 31491681
N-(2-methoxy-5-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide
CID 53169702
1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide
CID 26709742

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(2-methoxy-5-methylphenyl)-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The IUPAC name of 7-fluoro-N-(2-methoxy-5-methylphenyl)-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (CID 53170768) is 7-fluoro-N-(2-methoxy-5-methylphenyl)-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.
What is the SMILES notation for 7-fluoro-N-(2-methoxy-5-methylphenyl)-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The canonical SMILES for 7-fluoro-N-(2-methoxy-5-methylphenyl)-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is COc1ccc(C)cc1NC(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12.
What is the InChIKey of 7-fluoro-N-(2-methoxy-5-methylphenyl)-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The InChIKey is MPIMMFQQPQYQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O3/c1-9-3-6-14(27-2)12(7-9)21-17(25)15-16-18(26)20-11-8-10(19)4-5-13(11)24(16)23-22-15/h3-8H,1-2H3,(H,20,26)(H,21,25).
What are the key properties of 7-fluoro-N-(2-methoxy-5-methylphenyl)-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
7-fluoro-N-(2-methoxy-5-methylphenyl)-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide has a molecular weight of 367.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(2-methoxy-5-methylphenyl)-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is sourced from PubChem (CID 53170768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).