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

C20H16N4O4 — CID 53186458

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCn1c(=O)c2ccnn2c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc21
InChIInChI=1S/C20H16N4O4/c1-23-16-10-12(2-4-14(16)24-15(20(23)26)6-7-21-24)19(25)22-13-3-5-17-18(11-13)28-9-8-27-17/h2-7,10-11H,8-9H2,1H3,(H,22,25)
InChIKeyZBBHZWVUGVSUNM-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.21
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 53186458) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
PubChem CID53186458
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCn1c(=O)c2ccnn2c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc21
InChIInChI=1S/C20H16N4O4/c1-23-16-10-12(2-4-14(16)24-15(20(23)26)6-7-21-24)19(25)22-13-3-5-17-18(11-13)28-9-8-27-17/h2-7,10-11H,8-9H2,1H3,(H,22,25)
InChIKeyZBBHZWVUGVSUNM-UHFFFAOYSA-N
XLogP2.21
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (CID 53186458) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is Cn1c(=O)c2ccnn2c2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is ZBBHZWVUGVSUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-23-16-10-12(2-4-14(16)24-15(20(23)26)6-7-21-24)19(25)22-13-3-5-17-18(11-13)28-9-8-27-17/h2-7,10-11H,8-9H2,1H3,(H,22,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 2.21, 2 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-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 53186458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).