1-ethyl-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxoquinoline-3-carboxamide

C17H14N4O5 — CID 71597983

IUPAC1-ethyl-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NN=Cc2ccc([N+](=O)[O-])o2)c(=O)c2ccccc21
InChIInChI=1S/C17H14N4O5/c1-2-20-10-13(16(22)12-5-3-4-6-14(12)20)17(23)19-18-9-11-7-8-15(26-11)21(24)25/h3-10H,2H2,1H3,(H,19,23)
InChIKeyWRILIGTWMRCGGM-UHFFFAOYSA-N
MW354.32 g/mol
LogP2.29
Rot. Bonds5

About 1-ethyl-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxoquinoline-3-carboxamide

1-ethyl-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxoquinoline-3-carboxamide (PubChem CID 71597983) has the molecular formula C17H14N4O5 and a molecular weight of 354.32 g/mol. Its IUPAC name is 1-ethyl-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxoquinoline-3-carboxamide
PubChem CID71597983
Molecular FormulaC17H14N4O5
Molecular Weight354.32 g/mol
Exact Mass354.10
IUPAC Name1-ethyl-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NN=Cc2ccc([N+](=O)[O-])o2)c(=O)c2ccccc21
InChIInChI=1S/C17H14N4O5/c1-2-20-10-13(16(22)12-5-3-4-6-14(12)20)17(23)19-18-9-11-7-8-15(26-11)21(24)25/h3-10H,2H2,1H3,(H,19,23)
InChIKeyWRILIGTWMRCGGM-UHFFFAOYSA-N
XLogP2.29
TPSA119.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-1-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-oxoquinoline-3-carboxamide
CID 54688251
2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 3612541
N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 569827
2-(4-methylphenyl)-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide
CID 7933711
1-ethyl-N-(2-methyl-3-nitrophenyl)-4-oxoquinoline-3-carboxamide
CID 30131946
2,4-dihydroxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 707922
4-ethoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 769775
2-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 3430896
1-benzyl-5-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-3-oxidoimidazol-3-ium-4-carboxamide
CID 71699206
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylsulfanylacetamide
CID 100801815
3-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 5404081
2,4-dichloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 825585

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxoquinoline-3-carboxamide (CID 71597983) is 1-ethyl-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)NN=Cc2ccc([N+](=O)[O-])o2)c(=O)c2ccccc21.
What is the InChIKey of 1-ethyl-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxoquinoline-3-carboxamide?
The InChIKey is WRILIGTWMRCGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5/c1-2-20-10-13(16(22)12-5-3-4-6-14(12)20)17(23)19-18-9-11-7-8-15(26-11)21(24)25/h3-10H,2H2,1H3,(H,19,23).
What are the key properties of 1-ethyl-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxoquinoline-3-carboxamide?
1-ethyl-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxoquinoline-3-carboxamide has a molecular weight of 354.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(5-nitrofuran-2-yl)methylideneamino]-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 71597983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).