N-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide

C16H11N3O3 — CID 110701467

IUPACN-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cccc2nccnc12
InChIInChI=1S/C16H11N3O3/c20-16(11-2-1-3-12-15(11)18-7-6-17-12)19-10-4-5-13-14(8-10)22-9-21-13/h1-8H,9H2,(H,19,20)
InChIKeyOXVYHLRWEVSSQC-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.61
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide

N-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide (PubChem CID 110701467) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide
PubChem CID110701467
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC NameN-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cccc2nccnc12
InChIInChI=1S/C16H11N3O3/c20-16(11-2-1-3-12-15(11)18-7-6-17-12)19-10-4-5-13-14(8-10)22-9-21-13/h1-8H,9H2,(H,19,20)
InChIKeyOXVYHLRWEVSSQC-UHFFFAOYSA-N
XLogP2.61
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] quinoxaline-5-carboxylate
CID 23916064
N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide
CID 82786917
N-(3-bromo-4-methylphenyl)quinoxaline-5-carboxamide
CID 104576514
N-(2-methyl-4-pyridinyl)quinoxaline-5-carboxamide
CID 110701472
N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide
CID 1154201
N-(1,3-benzodioxol-5-yl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 84574949
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 46484817
4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide
CID 81235040
3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 104740959
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide
CID 30887113
2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 4795088
N-(1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 17391027

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide (CID 110701467) is N-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cccc2nccnc12.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide?
The InChIKey is OXVYHLRWEVSSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3/c20-16(11-2-1-3-12-15(11)18-7-6-17-12)19-10-4-5-13-14(8-10)22-9-21-13/h1-8H,9H2,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide?
N-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide has a molecular weight of 293.28 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)quinoxaline-5-carboxamide is sourced from PubChem (CID 110701467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).