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

C25H20ClN5O2 — CID 50820800

IUPACN-(3-chlorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCc1ccc(Cn2c(=O)c3nc(C(=O)Nc4cccc(Cl)c4)nn3c3ccc(C)cc32)cc1
InChIInChI=1S/C25H20ClN5O2/c1-15-6-9-17(10-7-15)14-30-21-12-16(2)8-11-20(21)31-23(25(30)33)28-22(29-31)24(32)27-19-5-3-4-18(26)13-19/h3-13H,14H2,1-2H3,(H,27,32)
InChIKeyUTOBLZMAGSZTEN-UHFFFAOYSA-N
MW457.92 g/mol
LogP4.62
Rot. Bonds4

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

N-(3-chlorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (PubChem CID 50820800) has the molecular formula C25H20ClN5O2 and a molecular weight of 457.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
PubChem CID50820800
Molecular FormulaC25H20ClN5O2
Molecular Weight457.92 g/mol
Exact Mass457.13
IUPAC NameN-(3-chlorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCc1ccc(Cn2c(=O)c3nc(C(=O)Nc4cccc(Cl)c4)nn3c3ccc(C)cc32)cc1
InChIInChI=1S/C25H20ClN5O2/c1-15-6-9-17(10-7-15)14-30-21-12-16(2)8-11-20(21)31-23(25(30)33)28-22(29-31)24(32)27-19-5-3-4-18(26)13-19/h3-13H,14H2,1-2H3,(H,27,32)
InChIKeyUTOBLZMAGSZTEN-UHFFFAOYSA-N
XLogP4.62
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.92
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820609
N-(3-acetylphenyl)-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 46377761
5-[(4-chlorophenyl)methyl]-N-(3-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820820
N-(3-fluorophenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50821009
5-[(3-chlorophenyl)methyl]-N-(2-methoxyphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820672
5-[(4-chlorophenyl)methyl]-N-(2-ethylphenyl)-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 46377690
N-(4-ethylphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820994
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]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 46261177
5-[(3-chlorophenyl)methyl]-N-cycloheptyl-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 46377750
5-[(4-chlorophenyl)methyl]-7-methyl-N-[(2-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 53039113
5-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 53039112

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (CID 50820800) is N-(3-chlorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is Cc1ccc(Cn2c(=O)c3nc(C(=O)Nc4cccc(Cl)c4)nn3c3ccc(C)cc32)cc1.
What is the InChIKey of N-(3-chlorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The InChIKey is UTOBLZMAGSZTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O2/c1-15-6-9-17(10-7-15)14-30-21-12-16(2)8-11-20(21)31-23(25(30)33)28-22(29-31)24(32)27-19-5-3-4-18(26)13-19/h3-13H,14H2,1-2H3,(H,27,32).
What are the key properties of N-(3-chlorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
N-(3-chlorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide has a molecular weight of 457.92 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is sourced from PubChem (CID 50820800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).