N-(furan-2-ylmethylideneamino)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide

C15H12N4O3 — CID 3298414

IUPACN-(furan-2-ylmethylideneamino)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide
SMILESO=C(Cc1nc2ccccc2[nH]c1=O)NN=Cc1ccco1
InChIInChI=1S/C15H12N4O3/c20-14(19-16-9-10-4-3-7-22-10)8-13-15(21)18-12-6-2-1-5-11(12)17-13/h1-7,9H,8H2,(H,18,21)(H,19,20)
InChIKeyJARZBHHEWUUGSB-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.21
Rot. Bonds4

About N-(furan-2-ylmethylideneamino)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide

N-(furan-2-ylmethylideneamino)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide (PubChem CID 3298414) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide
PubChem CID3298414
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC NameN-(furan-2-ylmethylideneamino)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide
SMILESO=C(Cc1nc2ccccc2[nH]c1=O)NN=Cc1ccco1
InChIInChI=1S/C15H12N4O3/c20-14(19-16-9-10-4-3-7-22-10)8-13-15(21)18-12-6-2-1-5-11(12)17-13/h1-7,9H,8H2,(H,18,21)(H,19,20)
InChIKeyJARZBHHEWUUGSB-UHFFFAOYSA-N
XLogP1.21
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 112538062
3-[2-(furan-2-yl)-2-oxoethyl]-1H-quinoxalin-2-one
CID 121209654
N-[(E)-benzylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 6877145
[4-[(E)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 110341147
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
N-[(Z)-benzylideneamino]-2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)acetamide
CID 5410088
4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-furan-2-ylmethylideneamino]benzamide;molecular hydrogen
CID 172924111
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
N-[(E)-(2-hexoxyphenyl)methylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110339499
2-(4-ethylphenyl)-N-(furan-2-ylmethylideneamino)acetamide
CID 165354335
[4-[(Z)-[3-(3-oxo-4H-quinoxalin-2-yl)propanoylhydrazinylidene]methyl]phenyl] acetate
CID 110509725
N-[(E)-furan-2-ylmethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 6896656

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide (CID 3298414) is N-(furan-2-ylmethylideneamino)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide is O=C(Cc1nc2ccccc2[nH]c1=O)NN=Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide?
The InChIKey is JARZBHHEWUUGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c20-14(19-16-9-10-4-3-7-22-10)8-13-15(21)18-12-6-2-1-5-11(12)17-13/h1-7,9H,8H2,(H,18,21)(H,19,20).
What are the key properties of N-(furan-2-ylmethylideneamino)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide?
N-(furan-2-ylmethylideneamino)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide has a molecular weight of 296.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide is sourced from PubChem (CID 3298414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).