N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide

C21H18N4O4 — CID 53186572

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCCn1c(=O)c2ccnn2c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc21
InChIInChI=1S/C21H18N4O4/c1-2-24-17-11-13(3-5-15(17)25-16(21(24)27)7-8-22-25)20(26)23-14-4-6-18-19(12-14)29-10-9-28-18/h3-8,11-12H,2,9-10H2,1H3,(H,23,26)
InChIKeyVZWAWKYTURSBNP-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.69
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 53186572) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
PubChem CID53186572
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCCn1c(=O)c2ccnn2c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc21
InChIInChI=1S/C21H18N4O4/c1-2-24-17-11-13(3-5-15(17)25-16(21(24)27)7-8-22-25)20(26)23-14-4-6-18-19(12-14)29-10-9-28-18/h3-8,11-12H,2,9-10H2,1H3,(H,23,26)
InChIKeyVZWAWKYTURSBNP-UHFFFAOYSA-N
XLogP2.69
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-N-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186590
5-ethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186584
5-ethyl-N-(5-fluoro-2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186610
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-4-carboxamide
CID 3249821
5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903365
5-ethyl-4-oxo-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186625
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 103751678
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1,3-oxazol-5-yl)benzamide
CID 47049817
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4071661
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047812
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-6-oxopyridine-3-carboxamide
CID 110693119

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (CID 53186572) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is CCn1c(=O)c2ccnn2c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is VZWAWKYTURSBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c1-2-24-17-11-13(3-5-15(17)25-16(21(24)27)7-8-22-25)20(26)23-14-4-6-18-19(12-14)29-10-9-28-18/h3-8,11-12H,2,9-10H2,1H3,(H,23,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 53186572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).