N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide

C27H18N4O4 — CID 6908412

IUPACN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C27H18N4O4/c32-27(30-28-17-21-14-15-26(35-21)31(33)34)23-16-25(29-24-9-5-4-8-22(23)24)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-17H,(H,30,32)/b28-17+
InChIKeyJOZVIIBGWDNLRM-OGLMXYFKSA-N
MW462.47 g/mol
LogP5.83
Rot. Bonds6

About N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide

N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide (PubChem CID 6908412) has the molecular formula C27H18N4O4 and a molecular weight of 462.47 g/mol. Its IUPAC name is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide
PubChem CID6908412
Molecular FormulaC27H18N4O4
Molecular Weight462.47 g/mol
Exact Mass462.13
IUPAC NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C27H18N4O4/c32-27(30-28-17-21-14-15-26(35-21)31(33)34)23-16-25(29-24-9-5-4-8-22(23)24)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-17H,(H,30,32)/b28-17+
InChIKeyJOZVIIBGWDNLRM-OGLMXYFKSA-N
XLogP5.83
TPSA110.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.47
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide (CID 6908412) is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide is O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12.
What is the InChIKey of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide?
The InChIKey is JOZVIIBGWDNLRM-OGLMXYFKSA-N. The full InChI is InChI=1S/C27H18N4O4/c32-27(30-28-17-21-14-15-26(35-21)31(33)34)23-16-25(29-24-9-5-4-8-22(23)24)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-17H,(H,30,32)/b28-17+.
What are the key properties of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide?
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide has a molecular weight of 462.47 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 6908412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).