2-amino-6-nitro-3H-quinazolin-4-one

C8H6N4O3 — CID 135523810

IUPAC2-amino-6-nitro-3H-quinazolin-4-one
SMILESNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1
InChIInChI=1S/C8H6N4O3/c9-8-10-6-2-1-4(12(14)15)3-5(6)7(13)11-8/h1-3H,(H3,9,10,11,13)
InChIKeyAFQWWNVKKIMPGC-UHFFFAOYSA-N
MW206.16 g/mol
LogP0.41
Rot. Bonds1

About 2-amino-6-nitro-3H-quinazolin-4-one

2-amino-6-nitro-3H-quinazolin-4-one (PubChem CID 135523810) has the molecular formula C8H6N4O3 and a molecular weight of 206.16 g/mol. Its IUPAC name is 2-amino-6-nitro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-amino-6-nitro-3H-quinazolin-4-one
PubChem CID135523810
Molecular FormulaC8H6N4O3
Molecular Weight206.16 g/mol
Exact Mass206.04
IUPAC Name2-amino-6-nitro-3H-quinazolin-4-one
SMILESNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1
InChIInChI=1S/C8H6N4O3/c9-8-10-6-2-1-4(12(14)15)3-5(6)7(13)11-8/h1-3H,(H3,9,10,11,13)
InChIKeyAFQWWNVKKIMPGC-UHFFFAOYSA-N
XLogP0.41
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 50.41
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 2-amino-6-nitro-3H-quinazolin-4-one?
The IUPAC name of 2-amino-6-nitro-3H-quinazolin-4-one (CID 135523810) is 2-amino-6-nitro-3H-quinazolin-4-one.
What is the SMILES notation for 2-amino-6-nitro-3H-quinazolin-4-one?
The canonical SMILES for 2-amino-6-nitro-3H-quinazolin-4-one is Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1.
What is the InChIKey of 2-amino-6-nitro-3H-quinazolin-4-one?
The InChIKey is AFQWWNVKKIMPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O3/c9-8-10-6-2-1-4(12(14)15)3-5(6)7(13)11-8/h1-3H,(H3,9,10,11,13).
What are the key properties of 2-amino-6-nitro-3H-quinazolin-4-one?
2-amino-6-nitro-3H-quinazolin-4-one has a molecular weight of 206.16 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-nitro-3H-quinazolin-4-one is sourced from PubChem (CID 135523810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).