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

C25H19ClFN5O2 — CID 46377748

IUPAC5-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCc1ccc2c(c1)n(Cc1ccccc1Cl)c(=O)c1nc(C(=O)Nc3ccc(C)c(F)c3)nn12
InChIInChI=1S/C25H19ClFN5O2/c1-14-7-10-20-21(11-14)31(13-16-5-3-4-6-18(16)26)25(34)23-29-22(30-32(20)23)24(33)28-17-9-8-15(2)19(27)12-17/h3-12H,13H2,1-2H3,(H,28,33)
InChIKeyUUIHEBFRIPCDOF-UHFFFAOYSA-N
MW475.91 g/mol
LogP4.75
Rot. Bonds4

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

5-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (PubChem CID 46377748) has the molecular formula C25H19ClFN5O2 and a molecular weight of 475.91 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
PubChem CID46377748
Molecular FormulaC25H19ClFN5O2
Molecular Weight475.91 g/mol
Exact Mass475.12
IUPAC Name5-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCc1ccc2c(c1)n(Cc1ccccc1Cl)c(=O)c1nc(C(=O)Nc3ccc(C)c(F)c3)nn12
InChIInChI=1S/C25H19ClFN5O2/c1-14-7-10-20-21(11-14)31(13-16-5-3-4-6-18(16)26)25(34)23-29-22(30-32(20)23)24(33)28-17-9-8-15(2)19(27)12-17/h3-12H,13H2,1-2H3,(H,28,33)
InChIKeyUUIHEBFRIPCDOF-UHFFFAOYSA-N
XLogP4.75
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.91
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-7-methyl-5-[(2-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820591
N-(3-fluorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820609
ethyl 4-[[7-methyl-5-[(2-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carbonyl]amino]benzoate
CID 50820902
5-[(4-chlorophenyl)methyl]-N-(2-ethylphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 46377690
N-(3-chlorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820800
N-(2,3-dimethylphenyl)-7-methyl-5-[(2-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820779
N-(3-fluorophenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50821009
5-[(4-chlorophenyl)methyl]-N-(3-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820820
N-(4-ethylphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820994
3-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027099
N-(3-acetylphenyl)-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 46377761
7-methyl-5-[(2-methylphenyl)methyl]-4-oxo-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820842

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (CID 46377748) is 5-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is Cc1ccc2c(c1)n(Cc1ccccc1Cl)c(=O)c1nc(C(=O)Nc3ccc(C)c(F)c3)nn12.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The InChIKey is UUIHEBFRIPCDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN5O2/c1-14-7-10-20-21(11-14)31(13-16-5-3-4-6-18(16)26)25(34)23-29-22(30-32(20)23)24(33)28-17-9-8-15(2)19(27)12-17/h3-12H,13H2,1-2H3,(H,28,33).
What are the key properties of 5-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
5-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide has a molecular weight of 475.91 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is sourced from PubChem (CID 46377748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).