quinazoline;sulfuric acid

C8H8N2O4S — CID 68666384

IUPACquinazoline;sulfuric acid
SMILESO=S(=O)(O)O.c1ccc2ncncc2c1
InChIInChI=1S/C8H6N2.H2O4S/c1-2-4-8-7(3-1)5-9-6-10-8;1-5(2,3)4/h1-6H;(H2,1,2,3,4)
InChIKeyUOKKUUXRJDNZBO-UHFFFAOYSA-N
MW228.23 g/mol
LogP0.98
Rot. Bonds

About quinazoline;sulfuric acid

quinazoline;sulfuric acid (PubChem CID 68666384) has the molecular formula C8H8N2O4S and a molecular weight of 228.23 g/mol. Its IUPAC name is quinazoline;sulfuric acid.

Molecular Properties

Compound Namequinazoline;sulfuric acid
PubChem CID68666384
Molecular FormulaC8H8N2O4S
Molecular Weight228.23 g/mol
Exact Mass228.02
IUPAC Namequinazoline;sulfuric acid
SMILESO=S(=O)(O)O.c1ccc2ncncc2c1
InChIInChI=1S/C8H6N2.H2O4S/c1-2-4-8-7(3-1)5-9-6-10-8;1-5(2,3)4/h1-6H;(H2,1,2,3,4)
InChIKeyUOKKUUXRJDNZBO-UHFFFAOYSA-N
XLogP0.98
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of quinazoline;sulfuric acid?
The IUPAC name of quinazoline;sulfuric acid (CID 68666384) is quinazoline;sulfuric acid.
What is the SMILES notation for quinazoline;sulfuric acid?
The canonical SMILES for quinazoline;sulfuric acid is O=S(=O)(O)O.c1ccc2ncncc2c1.
What is the InChIKey of quinazoline;sulfuric acid?
The InChIKey is UOKKUUXRJDNZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.H2O4S/c1-2-4-8-7(3-1)5-9-6-10-8;1-5(2,3)4/h1-6H;(H2,1,2,3,4).
What are the key properties of quinazoline;sulfuric acid?
quinazoline;sulfuric acid has a molecular weight of 228.23 g/mol, XLogP of 0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinazoline;sulfuric acid is sourced from PubChem (CID 68666384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).