N-[(E)-furan-2-ylmethylideneamino]-3-phenylquinoxaline-2-carboxamide

C20H14N4O2 — CID 44564355

IUPACN-[(E)-furan-2-ylmethylideneamino]-3-phenylquinoxaline-2-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C20H14N4O2/c25-20(24-21-13-15-9-6-12-26-15)19-18(14-7-2-1-3-8-14)22-16-10-4-5-11-17(16)23-19/h1-13H,(H,24,25)/b21-13+
InChIKeyXUZSBFRSBCAXHC-FYJGNVAPSA-N
MW342.36 g/mol
LogP3.65
Rot. Bonds4

About N-[(E)-furan-2-ylmethylideneamino]-3-phenylquinoxaline-2-carboxamide

N-[(E)-furan-2-ylmethylideneamino]-3-phenylquinoxaline-2-carboxamide (PubChem CID 44564355) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-3-phenylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-3-phenylquinoxaline-2-carboxamide
PubChem CID44564355
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-3-phenylquinoxaline-2-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C20H14N4O2/c25-20(24-21-13-15-9-6-12-26-15)19-18(14-7-2-1-3-8-14)22-16-10-4-5-11-17(16)23-19/h1-13H,(H,24,25)/b21-13+
InChIKeyXUZSBFRSBCAXHC-FYJGNVAPSA-N
XLogP3.65
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-3-phenylquinoxaline-2-carboxamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-3-phenylquinoxaline-2-carboxamide (CID 44564355) is N-[(E)-furan-2-ylmethylideneamino]-3-phenylquinoxaline-2-carboxamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-3-phenylquinoxaline-2-carboxamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-3-phenylquinoxaline-2-carboxamide is O=C(N/N=C/c1ccco1)c1nc2ccccc2nc1-c1ccccc1.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-3-phenylquinoxaline-2-carboxamide?
The InChIKey is XUZSBFRSBCAXHC-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-20(24-21-13-15-9-6-12-26-15)19-18(14-7-2-1-3-8-14)22-16-10-4-5-11-17(16)23-19/h1-13H,(H,24,25)/b21-13+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-3-phenylquinoxaline-2-carboxamide?
N-[(E)-furan-2-ylmethylideneamino]-3-phenylquinoxaline-2-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-3-phenylquinoxaline-2-carboxamide is sourced from PubChem (CID 44564355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).