N-[2-(5-nitrofuran-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide

C14H12N4O5 — CID 5207289

IUPACN-[2-(5-nitrofuran-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
SMILESCC(=O)NN1C(=O)c2ccccc2NC1c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H12N4O5/c1-8(19)16-17-13(11-6-7-12(23-11)18(21)22)15-10-5-3-2-4-9(10)14(17)20/h2-7,13,15H,1H3,(H,16,19)
InChIKeyMQUZRWMMSRELST-UHFFFAOYSA-N
MW316.27 g/mol
LogP1.81
Rot. Bonds3

About N-[2-(5-nitrofuran-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide

N-[2-(5-nitrofuran-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide (PubChem CID 5207289) has the molecular formula C14H12N4O5 and a molecular weight of 316.27 g/mol. Its IUPAC name is N-[2-(5-nitrofuran-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(5-nitrofuran-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
PubChem CID5207289
Molecular FormulaC14H12N4O5
Molecular Weight316.27 g/mol
Exact Mass316.08
IUPAC NameN-[2-(5-nitrofuran-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
SMILESCC(=O)NN1C(=O)c2ccccc2NC1c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C14H12N4O5/c1-8(19)16-17-13(11-6-7-12(23-11)18(21)22)15-10-5-3-2-4-9(10)14(17)20/h2-7,13,15H,1H3,(H,16,19)
InChIKeyMQUZRWMMSRELST-UHFFFAOYSA-N
XLogP1.81
TPSA117.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-[2-(5-nitrofuran-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?
The IUPAC name of N-[2-(5-nitrofuran-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide (CID 5207289) is N-[2-(5-nitrofuran-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide.
What is the SMILES notation for N-[2-(5-nitrofuran-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?
The canonical SMILES for N-[2-(5-nitrofuran-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide is CC(=O)NN1C(=O)c2ccccc2NC1c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[2-(5-nitrofuran-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?
The InChIKey is MQUZRWMMSRELST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O5/c1-8(19)16-17-13(11-6-7-12(23-11)18(21)22)15-10-5-3-2-4-9(10)14(17)20/h2-7,13,15H,1H3,(H,16,19).
What are the key properties of N-[2-(5-nitrofuran-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide?
N-[2-(5-nitrofuran-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide has a molecular weight of 316.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-nitrofuran-2-yl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide is sourced from PubChem (CID 5207289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).