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

C19H15N5O4 — CID 53170959

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
SMILESCc1ccc2c(c1)[nH]c(=O)c1c(C(=O)Nc3ccc4c(c3)OCCO4)nnn12
InChIInChI=1S/C19H15N5O4/c1-10-2-4-13-12(8-10)21-19(26)17-16(22-23-24(13)17)18(25)20-11-3-5-14-15(9-11)28-7-6-27-14/h2-5,8-9H,6-7H2,1H3,(H,20,25)(H,21,26)
InChIKeyIZHIJTPIHNBWPM-UHFFFAOYSA-N
MW377.36 g/mol
LogP1.90
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (PubChem CID 53170959) has the molecular formula C19H15N5O4 and a molecular weight of 377.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
PubChem CID53170959
Molecular FormulaC19H15N5O4
Molecular Weight377.36 g/mol
Exact Mass377.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
SMILESCc1ccc2c(c1)[nH]c(=O)c1c(C(=O)Nc3ccc4c(c3)OCCO4)nnn12
InChIInChI=1S/C19H15N5O4/c1-10-2-4-13-12(8-10)21-19(26)17-16(22-23-24(13)17)18(25)20-11-3-5-14-15(9-11)28-7-6-27-14/h2-5,8-9H,6-7H2,1H3,(H,20,25)(H,21,26)
InChIKeyIZHIJTPIHNBWPM-UHFFFAOYSA-N
XLogP1.90
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049446
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)tetrazole-5-carboxamide
CID 71791342
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 53335073
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide;hydrochloride
CID 163326111
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249297
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111501
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(4-methylphenyl)-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 15999118
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1H-indole-2-carboxamide
CID 110863295
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-5-methyl-N-(2,4,6-trimethylphenyl)triazole-4-carboxamide
CID 53335085
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 8702036
N-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331279
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056943

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (CID 53170959) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is Cc1ccc2c(c1)[nH]c(=O)c1c(C(=O)Nc3ccc4c(c3)OCCO4)nnn12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The InChIKey is IZHIJTPIHNBWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4/c1-10-2-4-13-12(8-10)21-19(26)17-16(22-23-24(13)17)18(25)20-11-3-5-14-15(9-11)28-7-6-27-14/h2-5,8-9H,6-7H2,1H3,(H,20,25)(H,21,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide has a molecular weight of 377.36 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 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)-7-methyl-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is sourced from PubChem (CID 53170959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).