N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylquinolin-4-amine

C20H14N4O3 — CID 44537081

IUPACN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylquinolin-4-amine
SMILESO=[N+]([O-])c1ccc(/C=N/Nc2cc(-c3ccccc3)nc3ccccc23)o1
InChIInChI=1S/C20H14N4O3/c25-24(26)20-11-10-15(27-20)13-21-23-19-12-18(14-6-2-1-3-7-14)22-17-9-5-4-8-16(17)19/h1-13H,(H,22,23)/b21-13+
InChIKeyOYYWWXGSDCYQFJ-FYJGNVAPSA-N
MW358.36 g/mol
LogP4.85
Rot. Bonds5

About N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylquinolin-4-amine

N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylquinolin-4-amine (PubChem CID 44537081) has the molecular formula C20H14N4O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylquinolin-4-amine.

Molecular Properties

Compound NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylquinolin-4-amine
PubChem CID44537081
Molecular FormulaC20H14N4O3
Molecular Weight358.36 g/mol
Exact Mass358.11
IUPAC NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylquinolin-4-amine
SMILESO=[N+]([O-])c1ccc(/C=N/Nc2cc(-c3ccccc3)nc3ccccc23)o1
InChIInChI=1S/C20H14N4O3/c25-24(26)20-11-10-15(27-20)13-21-23-19-12-18(14-6-2-1-3-7-14)22-17-9-5-4-8-16(17)19/h1-13H,(H,22,23)/b21-13+
InChIKeyOYYWWXGSDCYQFJ-FYJGNVAPSA-N
XLogP4.85
TPSA93.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 54.85
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-phenylquinolin-4-amine?
The IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylquinolin-4-amine (CID 44537081) is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylquinolin-4-amine.
What is the SMILES notation for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylquinolin-4-amine?
The canonical SMILES for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylquinolin-4-amine is O=[N+]([O-])c1ccc(/C=N/Nc2cc(-c3ccccc3)nc3ccccc23)o1.
What is the InChIKey of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylquinolin-4-amine?
The InChIKey is OYYWWXGSDCYQFJ-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H14N4O3/c25-24(26)20-11-10-15(27-20)13-21-23-19-12-18(14-6-2-1-3-7-14)22-17-9-5-4-8-16(17)19/h1-13H,(H,22,23)/b21-13+.
What are the key properties of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylquinolin-4-amine?
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylquinolin-4-amine has a molecular weight of 358.36 g/mol, XLogP of 4.85, 5 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-phenylquinolin-4-amine is sourced from PubChem (CID 44537081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).