2-nitrofuran;quinazoline

C12H9N3O3 — CID 69170978

IUPAC2-nitrofuran;quinazoline
SMILESO=[N+]([O-])c1ccco1.c1ccc2ncncc2c1
InChIInChI=1S/C8H6N2.C4H3NO3/c1-2-4-8-7(3-1)5-9-6-10-8;6-5(7)4-2-1-3-8-4/h1-6H;1-3H
InChIKeyZBWZFMOSSZJVAZ-UHFFFAOYSA-N
MW243.22 g/mol
LogP2.82
Rot. Bonds1

About 2-nitrofuran;quinazoline

2-nitrofuran;quinazoline (PubChem CID 69170978) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-nitrofuran;quinazoline.

Molecular Properties

Compound Name2-nitrofuran;quinazoline
PubChem CID69170978
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name2-nitrofuran;quinazoline
SMILESO=[N+]([O-])c1ccco1.c1ccc2ncncc2c1
InChIInChI=1S/C8H6N2.C4H3NO3/c1-2-4-8-7(3-1)5-9-6-10-8;6-5(7)4-2-1-3-8-4/h1-6H;1-3H
InChIKeyZBWZFMOSSZJVAZ-UHFFFAOYSA-N
XLogP2.82
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 52.82
H-Bond Donors ≤ 50
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 2-nitrofuran;quinazoline?
The IUPAC name of 2-nitrofuran;quinazoline (CID 69170978) is 2-nitrofuran;quinazoline.
What is the SMILES notation for 2-nitrofuran;quinazoline?
The canonical SMILES for 2-nitrofuran;quinazoline is O=[N+]([O-])c1ccco1.c1ccc2ncncc2c1.
What is the InChIKey of 2-nitrofuran;quinazoline?
The InChIKey is ZBWZFMOSSZJVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C4H3NO3/c1-2-4-8-7(3-1)5-9-6-10-8;6-5(7)4-2-1-3-8-4/h1-6H;1-3H.
What are the key properties of 2-nitrofuran;quinazoline?
2-nitrofuran;quinazoline has a molecular weight of 243.22 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrofuran;quinazoline is sourced from PubChem (CID 69170978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).