N-(2-methoxyethoxy)quinoxaline-5-carboxamide

C12H13N3O3 — CID 113428897

IUPACN-(2-methoxyethoxy)quinoxaline-5-carboxamide
SMILESCOCCONC(=O)c1cccc2nccnc12
InChIInChI=1S/C12H13N3O3/c1-17-7-8-18-15-12(16)9-3-2-4-10-11(9)14-6-5-13-10/h2-6H,7-8H2,1H3,(H,15,16)
InChIKeyIXTYSXQCGXQJMM-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.94
Rot. Bonds5

About N-(2-methoxyethoxy)quinoxaline-5-carboxamide

N-(2-methoxyethoxy)quinoxaline-5-carboxamide (PubChem CID 113428897) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-(2-methoxyethoxy)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)quinoxaline-5-carboxamide
PubChem CID113428897
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-(2-methoxyethoxy)quinoxaline-5-carboxamide
SMILESCOCCONC(=O)c1cccc2nccnc12
InChIInChI=1S/C12H13N3O3/c1-17-7-8-18-15-12(16)9-3-2-4-10-11(9)14-6-5-13-10/h2-6H,7-8H2,1H3,(H,15,16)
InChIKeyIXTYSXQCGXQJMM-UHFFFAOYSA-N
XLogP0.94
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropoxy)quinoxaline-5-carboxamide
CID 104578317
2-(quinoxaline-5-carbonylamino)ethyl acetate
CID 150834987
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010
N-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide
CID 106245167
N-(1,1-dimethoxypropan-2-yl)quinoxaline-5-carboxamide
CID 104614319
N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide
CID 104613993
N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 110701358
N-butan-2-ylquinoxaline-5-carboxamide
CID 110701330
N-[(2-methoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 110701357
N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide
CID 104580610
N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
CID 104615463
N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide
CID 74240949

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)quinoxaline-5-carboxamide?
The IUPAC name of N-(2-methoxyethoxy)quinoxaline-5-carboxamide (CID 113428897) is N-(2-methoxyethoxy)quinoxaline-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethoxy)quinoxaline-5-carboxamide?
The canonical SMILES for N-(2-methoxyethoxy)quinoxaline-5-carboxamide is COCCONC(=O)c1cccc2nccnc12.
What is the InChIKey of N-(2-methoxyethoxy)quinoxaline-5-carboxamide?
The InChIKey is IXTYSXQCGXQJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-17-7-8-18-15-12(16)9-3-2-4-10-11(9)14-6-5-13-10/h2-6H,7-8H2,1H3,(H,15,16).
What are the key properties of N-(2-methoxyethoxy)quinoxaline-5-carboxamide?
N-(2-methoxyethoxy)quinoxaline-5-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)quinoxaline-5-carboxamide is sourced from PubChem (CID 113428897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).