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

C20H14N4O5 — CID 6874699

IUPAC2-(5-methylfuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)c3ccccc3n2)o1
InChIInChI=1S/C20H14N4O5/c1-12-6-8-18(28-12)17-10-15(14-4-2-3-5-16(14)22-17)20(25)23-21-11-13-7-9-19(29-13)24(26)27/h2-11H,1H3,(H,23,25)/b21-11+
InChIKeyMYSMWBRAQFWBLL-SRZZPIQSSA-N
MW390.36 g/mol
LogP4.07
Rot. Bonds5

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

2-(5-methylfuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide (PubChem CID 6874699) has the molecular formula C20H14N4O5 and a molecular weight of 390.36 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide
PubChem CID6874699
Molecular FormulaC20H14N4O5
Molecular Weight390.36 g/mol
Exact Mass390.10
IUPAC Name2-(5-methylfuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)c3ccccc3n2)o1
InChIInChI=1S/C20H14N4O5/c1-12-6-8-18(28-12)17-10-15(14-4-2-3-5-16(14)22-17)20(25)23-21-11-13-7-9-19(29-13)24(26)27/h2-11H,1H3,(H,23,25)/b21-11+
InChIKeyMYSMWBRAQFWBLL-SRZZPIQSSA-N
XLogP4.07
TPSA123.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 54.07
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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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide (CID 6874699) is 2-(5-methylfuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)c3ccccc3n2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is MYSMWBRAQFWBLL-SRZZPIQSSA-N. The full InChI is InChI=1S/C20H14N4O5/c1-12-6-8-18(28-12)17-10-15(14-4-2-3-5-16(14)22-17)20(25)23-21-11-13-7-9-19(29-13)24(26)27/h2-11H,1H3,(H,23,25)/b21-11+.
What are the key properties of 2-(5-methylfuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide?
2-(5-methylfuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 390.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6874699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).