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

C24H20N4O4 — CID 6874971

IUPACN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide
SMILESCCCc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)c3ccccc3n2)cc1
InChIInChI=1S/C24H20N4O4/c1-2-5-16-8-10-17(11-9-16)22-14-20(19-6-3-4-7-21(19)26-22)24(29)27-25-15-18-12-13-23(32-18)28(30)31/h3-4,6-15H,2,5H2,1H3,(H,27,29)/b25-15+
InChIKeyXDFLMQUBJVLWBF-MFKUBSTISA-N
MW428.45 g/mol
LogP5.12
Rot. Bonds7

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

N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide (PubChem CID 6874971) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide
PubChem CID6874971
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide
SMILESCCCc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)c3ccccc3n2)cc1
InChIInChI=1S/C24H20N4O4/c1-2-5-16-8-10-17(11-9-16)22-14-20(19-6-3-4-7-21(19)26-22)24(29)27-25-15-18-12-13-23(32-18)28(30)31/h3-4,6-15H,2,5H2,1H3,(H,27,29)/b25-15+
InChIKeyXDFLMQUBJVLWBF-MFKUBSTISA-N
XLogP5.12
TPSA110.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 55.12
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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Related Compounds

Quinoline, 2-(2-(5-nitro-2-furyl)vinyl)-
CID 5735444
N-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 2642647
N'-(2-furylmethylene)-2-(3-methoxyphenyl)-4-quinolinecarbohydrazide
CID 6873468
N'-({5-nitro-2-furyl}methylene)-2-(5-methyl-2-furyl)-4-quinolinecarbohydrazide
CID 6874699
2-(2-methoxyphenyl)-N'-[(5-methyl-2-furyl)methylene]-4-quinolinecarbohydrazide
CID 6874987
N'-(2-furylmethylene)-2-(4-pyridinyl)-4-quinolinecarbohydrazide
CID 9563619
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-methylquinoline-4-carboxamide
CID 9659681
2-methyl-N'-[(E)-(5-methylfuran-2-yl)methylidene]quinoline-4-carbohydrazide
CID 6884328
2-cyclopropyl-N'-[(E)-(5-methylfuran-2-yl)methylidene]quinoline-4-carbohydrazide
CID 9556901
2,7-Dimethyl-4-(5-nitrofuran-2-yl)quinoline
CID 23341191
6-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline
CID 118723550
2-(3,4-dimethylphenyl)-N'-[3-(2-furyl)-2-propenylidene]-4-quinolinecarbohydrazide
CID 1764811

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide (CID 6874971) is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide is CCCc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)c3ccccc3n2)cc1.
What is the InChIKey of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide?
The InChIKey is XDFLMQUBJVLWBF-MFKUBSTISA-N. The full InChI is InChI=1S/C24H20N4O4/c1-2-5-16-8-10-17(11-9-16)22-14-20(19-6-3-4-7-21(19)26-22)24(29)27-25-15-18-12-13-23(32-18)28(30)31/h3-4,6-15H,2,5H2,1H3,(H,27,29)/b25-15+.
What are the key properties of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide?
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-propylphenyl)quinoline-4-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 5.12, 7 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-propylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 6874971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).