N-(2-ethoxyphenyl)-7-methyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

C19H17N5O3 — CID 46377785

IUPACN-(2-ethoxyphenyl)-7-methyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nc2c(=O)[nH]c3cc(C)ccc3n2n1
InChIInChI=1S/C19H17N5O3/c1-3-27-15-7-5-4-6-12(15)20-18(25)16-22-17-19(26)21-13-10-11(2)8-9-14(13)24(17)23-16/h4-10H,3H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyMOEDKFXQFJEHKK-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.53
Rot. Bonds4

About N-(2-ethoxyphenyl)-7-methyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

N-(2-ethoxyphenyl)-7-methyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (PubChem CID 46377785) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-7-methyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-7-methyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
PubChem CID46377785
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC NameN-(2-ethoxyphenyl)-7-methyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1nc2c(=O)[nH]c3cc(C)ccc3n2n1
InChIInChI=1S/C19H17N5O3/c1-3-27-15-7-5-4-6-12(15)20-18(25)16-22-17-19(26)21-13-10-11(2)8-9-14(13)24(17)23-16/h4-10H,3H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyMOEDKFXQFJEHKK-UHFFFAOYSA-N
XLogP2.53
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-(2-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)acetamide
CID 5309264
2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one
CID 10039961
2-(4-methoxyphenyl)-8-methyl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 11522379
Benzyl 4,5-dihydro-4-oxo-1,2,4-triazolo[1,5-a]quinoxaline-2-carboxylate
CID 11674151
5,7-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 16231857
4H-(1,2,4)Triazolo(3,4-c)(1,4)benzoxazine-1-carboxamide
CID 14406025
N-(2-methoxy-5-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2122002
N-(2-ethoxyphenyl)-1,5-diphenyl-1H-1,2,4-triazole-3-carboxamide
CID 4851331
N-(2-methoxybenzyl)-2-(4-oxo-1-propyl[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl)acetamide
CID 49815842
1-(2-Ethoxyphenyl)-3-(4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-A]pyridin-3-YL}phenyl)urea
CID 91916968
1-(2-Methoxyphenyl)-4-[1-(4-methylphenyl)-1H-1,2,4-triazole-3-carbonyl]piperazine
CID 42692629
N-(4-ethoxyphenyl)-2-(1-isopropyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5(4H)-yl)acetamide
CID 49815802

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-7-methyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-7-methyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (CID 46377785) is N-(2-ethoxyphenyl)-7-methyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-7-methyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-7-methyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is CCOc1ccccc1NC(=O)c1nc2c(=O)[nH]c3cc(C)ccc3n2n1.
What is the InChIKey of N-(2-ethoxyphenyl)-7-methyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The InChIKey is MOEDKFXQFJEHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-3-27-15-7-5-4-6-12(15)20-18(25)16-22-17-19(26)21-13-10-11(2)8-9-14(13)24(17)23-16/h4-10H,3H2,1-2H3,(H,20,25)(H,21,26).
What are the key properties of N-(2-ethoxyphenyl)-7-methyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
N-(2-ethoxyphenyl)-7-methyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-7-methyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is sourced from PubChem (CID 46377785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).