5-nitro-N-(2-oxo-1H-quinolin-5-yl)furan-2-carboxamide

C14H9N3O5 — CID 166634873

IUPAC5-nitro-N-(2-oxo-1H-quinolin-5-yl)furan-2-carboxamide
SMILESO=C(Nc1cccc2[nH]c(=O)ccc12)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H9N3O5/c18-12-6-4-8-9(15-12)2-1-3-10(8)16-14(19)11-5-7-13(22-11)17(20)21/h1-7H,(H,15,18)(H,16,19)
InChIKeyWPPPNWJVCNOZRO-UHFFFAOYSA-N
MW299.24 g/mol
LogP2.28
Rot. Bonds3

About 5-nitro-N-(2-oxo-1H-quinolin-5-yl)furan-2-carboxamide

5-nitro-N-(2-oxo-1H-quinolin-5-yl)furan-2-carboxamide (PubChem CID 166634873) has the molecular formula C14H9N3O5 and a molecular weight of 299.24 g/mol. Its IUPAC name is 5-nitro-N-(2-oxo-1H-quinolin-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(2-oxo-1H-quinolin-5-yl)furan-2-carboxamide
PubChem CID166634873
Molecular FormulaC14H9N3O5
Molecular Weight299.24 g/mol
Exact Mass299.05
IUPAC Name5-nitro-N-(2-oxo-1H-quinolin-5-yl)furan-2-carboxamide
SMILESO=C(Nc1cccc2[nH]c(=O)ccc12)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H9N3O5/c18-12-6-4-8-9(15-12)2-1-3-10(8)16-14(19)11-5-7-13(22-11)17(20)21/h1-7H,(H,15,18)(H,16,19)
InChIKeyWPPPNWJVCNOZRO-UHFFFAOYSA-N
XLogP2.28
TPSA118.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 5-nitro-N-(2-oxo-1H-quinolin-5-yl)furan-2-carboxamide?
The IUPAC name of 5-nitro-N-(2-oxo-1H-quinolin-5-yl)furan-2-carboxamide (CID 166634873) is 5-nitro-N-(2-oxo-1H-quinolin-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(2-oxo-1H-quinolin-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-(2-oxo-1H-quinolin-5-yl)furan-2-carboxamide is O=C(Nc1cccc2[nH]c(=O)ccc12)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-(2-oxo-1H-quinolin-5-yl)furan-2-carboxamide?
The InChIKey is WPPPNWJVCNOZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O5/c18-12-6-4-8-9(15-12)2-1-3-10(8)16-14(19)11-5-7-13(22-11)17(20)21/h1-7H,(H,15,18)(H,16,19).
What are the key properties of 5-nitro-N-(2-oxo-1H-quinolin-5-yl)furan-2-carboxamide?
5-nitro-N-(2-oxo-1H-quinolin-5-yl)furan-2-carboxamide has a molecular weight of 299.24 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2-oxo-1H-quinolin-5-yl)furan-2-carboxamide is sourced from PubChem (CID 166634873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).