N-[1-(3,4-dimethoxyphenyl)ethyl]-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide

C20H19N5O4 — CID 53170935

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2nnn3c2c(=O)[nH]c2ccccc23)cc1OC
InChIInChI=1S/C20H19N5O4/c1-11(12-8-9-15(28-2)16(10-12)29-3)21-19(26)17-18-20(27)22-13-6-4-5-7-14(13)25(18)24-23-17/h4-11H,1-3H3,(H,21,26)(H,22,27)
InChIKeyVTKBQKVNCKHBHA-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.08
Rot. Bonds5

About N-[1-(3,4-dimethoxyphenyl)ethyl]-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (PubChem CID 53170935) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
PubChem CID53170935
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2nnn3c2c(=O)[nH]c2ccccc23)cc1OC
InChIInChI=1S/C20H19N5O4/c1-11(12-8-9-15(28-2)16(10-12)29-3)21-19(26)17-18-20(27)22-13-6-4-5-7-14(13)25(18)24-23-17/h4-11H,1-3H3,(H,21,26)(H,22,27)
InChIKeyVTKBQKVNCKHBHA-UHFFFAOYSA-N
XLogP2.08
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108785235
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CID 2894493
4,5-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 78853112
N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-indazole-3-carboxamide
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CID 55671575
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 53123678
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
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N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (CID 53170935) is N-[1-(3,4-dimethoxyphenyl)ethyl]-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is COc1ccc(C(C)NC(=O)c2nnn3c2c(=O)[nH]c2ccccc23)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The InChIKey is VTKBQKVNCKHBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-11(12-8-9-15(28-2)16(10-12)29-3)21-19(26)17-18-20(27)22-13-6-4-5-7-14(13)25(18)24-23-17/h4-11H,1-3H3,(H,21,26)(H,22,27).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is sourced from PubChem (CID 53170935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).