N-[(E)-furan-2-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide

C15H11N3O3 — CID 5347023

IUPACN-[(E)-furan-2-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H11N3O3/c19-14-8-12(11-5-1-2-6-13(11)17-14)15(20)18-16-9-10-4-3-7-21-10/h1-9H,(H,17,19)(H,18,20)/b16-9+
InChIKeyLTBIDTOXOVGGMC-CXUHLZMHSA-N
MW281.27 g/mol
LogP1.88
Rot. Bonds3

About N-[(E)-furan-2-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide

N-[(E)-furan-2-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 5347023) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is N-[(E)-furan-2-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-furan-2-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID5347023
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC NameN-[(E)-furan-2-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(N/N=C/c1ccco1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H11N3O3/c19-14-8-12(11-5-1-2-6-13(11)17-14)15(20)18-16-9-10-4-3-7-21-10/h1-9H,(H,17,19)(H,18,20)/b16-9+
InChIKeyLTBIDTOXOVGGMC-CXUHLZMHSA-N
XLogP1.88
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(E)-furan-2-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide (CID 5347023) is N-[(E)-furan-2-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-furan-2-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(E)-furan-2-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide is O=C(N/N=C/c1ccco1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[(E)-furan-2-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is LTBIDTOXOVGGMC-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-14-8-12(11-5-1-2-6-13(11)17-14)15(20)18-16-9-10-4-3-7-21-10/h1-9H,(H,17,19)(H,18,20)/b16-9+.
What are the key properties of N-[(E)-furan-2-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide?
N-[(E)-furan-2-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 281.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-furan-2-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 5347023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).