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

C26H22FN5O2 — CID 50820994

IUPACN-(4-ethylphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCCc1ccc(NC(=O)c2nc3c(=O)n(Cc4cccc(F)c4)c4cc(C)ccc4n3n2)cc1
InChIInChI=1S/C26H22FN5O2/c1-3-17-8-10-20(11-9-17)28-25(33)23-29-24-26(34)31(15-18-5-4-6-19(27)14-18)22-13-16(2)7-12-21(22)32(24)30-23/h4-14H,3,15H2,1-2H3,(H,28,33)
InChIKeyIBNXADPTXKRREL-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.35
Rot. Bonds5

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

N-(4-ethylphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (PubChem CID 50820994) has the molecular formula C26H22FN5O2 and a molecular weight of 455.49 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
PubChem CID50820994
Molecular FormulaC26H22FN5O2
Molecular Weight455.49 g/mol
Exact Mass455.18
IUPAC NameN-(4-ethylphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCCc1ccc(NC(=O)c2nc3c(=O)n(Cc4cccc(F)c4)c4cc(C)ccc4n3n2)cc1
InChIInChI=1S/C26H22FN5O2/c1-3-17-8-10-20(11-9-17)28-25(33)23-29-24-26(34)31(15-18-5-4-6-19(27)14-18)22-13-16(2)7-12-21(22)32(24)30-23/h4-14H,3,15H2,1-2H3,(H,28,33)
InChIKeyIBNXADPTXKRREL-UHFFFAOYSA-N
XLogP4.35
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50821009
N-(3-fluorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820609
5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-pentyl-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 46261192
N-(2,4-dimethoxyphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820980
N-(3-chlorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820800
5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820905
N-(3-acetylphenyl)-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 46377761
5-benzyl-N-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820769
5-[(4-chlorophenyl)methyl]-N-(2-ethylphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 46377690
5-[(4-chlorophenyl)methyl]-N-(3-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820820
ethyl 4-[[7-methyl-5-[(2-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate
CID 50820902
N-(3,4-dimethylphenyl)-7-methyl-5-[(2-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820591

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (CID 50820994) is N-(4-ethylphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is CCc1ccc(NC(=O)c2nc3c(=O)n(Cc4cccc(F)c4)c4cc(C)ccc4n3n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The InChIKey is IBNXADPTXKRREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2/c1-3-17-8-10-20(11-9-17)28-25(33)23-29-24-26(34)31(15-18-5-4-6-19(27)14-18)22-13-16(2)7-12-21(22)32(24)30-23/h4-14H,3,15H2,1-2H3,(H,28,33).
What are the key properties of N-(4-ethylphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
N-(4-ethylphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is sourced from PubChem (CID 50820994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).