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

C21H20N4O3 — CID 53186550

IUPACN-[(2-ethoxyphenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1ccc2c(c1)n(C)c(=O)c1ccnn12
InChIInChI=1S/C21H20N4O3/c1-3-28-19-7-5-4-6-15(19)13-22-20(26)14-8-9-16-18(12-14)24(2)21(27)17-10-11-23-25(16)17/h4-12H,3,13H2,1-2H3,(H,22,26)
InChIKeyVKULYIPVIUUHDV-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.51
Rot. Bonds5

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

N-[(2-ethoxyphenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 53186550) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
PubChem CID53186550
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[(2-ethoxyphenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1ccc2c(c1)n(C)c(=O)c1ccnn12
InChIInChI=1S/C21H20N4O3/c1-3-28-19-7-5-4-6-15(19)13-22-20(26)14-8-9-16-18(12-14)24(2)21(27)17-10-11-23-25(16)17/h4-12H,3,13H2,1-2H3,(H,22,26)
InChIKeyVKULYIPVIUUHDV-UHFFFAOYSA-N
XLogP2.51
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186549
5-ethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186584
N-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051647
5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186561
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957
5-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 171345117
N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 47367776
5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186672
N-[(2-methoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766493
N-[(2-ethoxyphenyl)methyl]-4-[(4-ethyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide
CID 50815625
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 30832504

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (CID 53186550) is N-[(2-ethoxyphenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is CCOc1ccccc1CNC(=O)c1ccc2c(c1)n(C)c(=O)c1ccnn12.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is VKULYIPVIUUHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-3-28-19-7-5-4-6-15(19)13-22-20(26)14-8-9-16-18(12-14)24(2)21(27)17-10-11-23-25(16)17/h4-12H,3,13H2,1-2H3,(H,22,26).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
N-[(2-ethoxyphenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 53186550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).