2-(quinoxaline-5-carbonylamino)ethyl acetate

C13H13N3O3 — CID 150834987

IUPAC2-(quinoxaline-5-carbonylamino)ethyl acetate
SMILESCC(=O)OCCNC(=O)c1cccc2nccnc12
InChIInChI=1S/C13H13N3O3/c1-9(17)19-8-7-16-13(18)10-3-2-4-11-12(10)15-6-5-14-11/h2-6H,7-8H2,1H3,(H,16,18)
InChIKeyKMUDGSAWFMKQPA-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.92
Rot. Bonds4

About 2-(quinoxaline-5-carbonylamino)ethyl acetate

2-(quinoxaline-5-carbonylamino)ethyl acetate (PubChem CID 150834987) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-(quinoxaline-5-carbonylamino)ethyl acetate.

Molecular Properties

Compound Name2-(quinoxaline-5-carbonylamino)ethyl acetate
PubChem CID150834987
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name2-(quinoxaline-5-carbonylamino)ethyl acetate
SMILESCC(=O)OCCNC(=O)c1cccc2nccnc12
InChIInChI=1S/C13H13N3O3/c1-9(17)19-8-7-16-13(18)10-3-2-4-11-12(10)15-6-5-14-11/h2-6H,7-8H2,1H3,(H,16,18)
InChIKeyKMUDGSAWFMKQPA-UHFFFAOYSA-N
XLogP0.92
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
CID 104615463
N-[2-(methanesulfonamido)ethyl]quinoxaline-5-carboxamide
CID 74240949
N-(2-methoxyethoxy)quinoxaline-5-carboxamide
CID 113428897
N-(3-bromo-4-methoxybutyl)quinoxaline-5-carboxamide
CID 106245167
N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide
CID 104615443
N-(3-chlorobutyl)quinoxaline-5-carboxamide
CID 104615743
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010
N-(2-methylpropoxy)quinoxaline-5-carboxamide
CID 104578317
N-pent-4-ynylquinoxaline-5-carboxamide
CID 113428882
N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide
CID 104580610
N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 110701358
N-[(2-methoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 110701357

Frequently Asked Questions

What is the IUPAC name of 2-(quinoxaline-5-carbonylamino)ethyl acetate?
The IUPAC name of 2-(quinoxaline-5-carbonylamino)ethyl acetate (CID 150834987) is 2-(quinoxaline-5-carbonylamino)ethyl acetate.
What is the SMILES notation for 2-(quinoxaline-5-carbonylamino)ethyl acetate?
The canonical SMILES for 2-(quinoxaline-5-carbonylamino)ethyl acetate is CC(=O)OCCNC(=O)c1cccc2nccnc12.
What is the InChIKey of 2-(quinoxaline-5-carbonylamino)ethyl acetate?
The InChIKey is KMUDGSAWFMKQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-9(17)19-8-7-16-13(18)10-3-2-4-11-12(10)15-6-5-14-11/h2-6H,7-8H2,1H3,(H,16,18).
What are the key properties of 2-(quinoxaline-5-carbonylamino)ethyl acetate?
2-(quinoxaline-5-carbonylamino)ethyl acetate has a molecular weight of 259.27 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinoxaline-5-carbonylamino)ethyl acetate is sourced from PubChem (CID 150834987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).