N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-4-carboxamide

C19H16N4O4 — CID 70698584

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-4-carboxamide
SMILESO=C1NCc2nc3ccccc3n2C1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H16N4O4/c24-18-17(23-13-4-2-1-3-12(13)22-16(23)10-20-18)19(25)21-11-5-6-14-15(9-11)27-8-7-26-14/h1-6,9,17H,7-8,10H2,(H,20,24)(H,21,25)
InChIKeyJAAIOXOCENVLQG-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.62
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-4-carboxamide (PubChem CID 70698584) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-4-carboxamide
PubChem CID70698584
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-4-carboxamide
SMILESO=C1NCc2nc3ccccc3n2C1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H16N4O4/c24-18-17(23-13-4-2-1-3-12(13)22-16(23)10-20-18)19(25)21-11-5-6-14-15(9-11)27-8-7-26-14/h1-6,9,17H,7-8,10H2,(H,20,24)(H,21,25)
InChIKeyJAAIOXOCENVLQG-UHFFFAOYSA-N
XLogP1.62
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 7024220
N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarboxamide
CID 730787
3-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-methylpropanamide
CID 53129365
trans-(1S,2S)-1-N,2-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 11881118
(1R,2R,3R,4R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxo-3H-quinazolin-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 135624111
(1R,2R,3R,4S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxo-3H-quinazolin-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 135921585
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806354
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(1-methylbenzimidazol-2-yl)methyl]guanidine
CID 119117561
N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 20930304
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diphenylacetamide
CID 872269
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea
CID 50762211
N-[2-[1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]propanamide
CID 17030299

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-4-carboxamide (CID 70698584) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-4-carboxamide is O=C1NCc2nc3ccccc3n2C1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-4-carboxamide?
The InChIKey is JAAIOXOCENVLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c24-18-17(23-13-4-2-1-3-12(13)22-16(23)10-20-18)19(25)21-11-5-6-14-15(9-11)27-8-7-26-14/h1-6,9,17H,7-8,10H2,(H,20,24)(H,21,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-4-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-2,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-4-carboxamide is sourced from PubChem (CID 70698584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).