4-chloro-7-fluoro-6-nitroquinazoline

C8H3ClFN3O2 — CID 10609358

IUPAC4-chloro-7-fluoro-6-nitroquinazoline
SMILESO=[N+]([O-])c1cc2c(Cl)ncnc2cc1F
InChIInChI=1S/C8H3ClFN3O2/c9-8-4-1-7(13(14)15)5(10)2-6(4)11-3-12-8/h1-3H
InChIKeyUYQMNEZWVKRWMS-UHFFFAOYSA-N
MW227.58 g/mol
LogP2.33
Rot. Bonds1

About 4-chloro-7-fluoro-6-nitroquinazoline

4-chloro-7-fluoro-6-nitroquinazoline (PubChem CID 10609358) has the molecular formula C8H3ClFN3O2 and a molecular weight of 227.58 g/mol. Its IUPAC name is 4-chloro-7-fluoro-6-nitroquinazoline.

Molecular Properties

Compound Name4-chloro-7-fluoro-6-nitroquinazoline
PubChem CID10609358
Molecular FormulaC8H3ClFN3O2
Molecular Weight227.58 g/mol
Exact Mass226.99
IUPAC Name4-chloro-7-fluoro-6-nitroquinazoline
SMILESO=[N+]([O-])c1cc2c(Cl)ncnc2cc1F
InChIInChI=1S/C8H3ClFN3O2/c9-8-4-1-7(13(14)15)5(10)2-6(4)11-3-12-8/h1-3H
InChIKeyUYQMNEZWVKRWMS-UHFFFAOYSA-N
XLogP2.33
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.58
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-chloro-7-fluoro-6-nitroquinazoline?
The IUPAC name of 4-chloro-7-fluoro-6-nitroquinazoline (CID 10609358) is 4-chloro-7-fluoro-6-nitroquinazoline.
What is the SMILES notation for 4-chloro-7-fluoro-6-nitroquinazoline?
The canonical SMILES for 4-chloro-7-fluoro-6-nitroquinazoline is O=[N+]([O-])c1cc2c(Cl)ncnc2cc1F.
What is the InChIKey of 4-chloro-7-fluoro-6-nitroquinazoline?
The InChIKey is UYQMNEZWVKRWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClFN3O2/c9-8-4-1-7(13(14)15)5(10)2-6(4)11-3-12-8/h1-3H.
What are the key properties of 4-chloro-7-fluoro-6-nitroquinazoline?
4-chloro-7-fluoro-6-nitroquinazoline has a molecular weight of 227.58 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-6-nitroquinazoline is sourced from PubChem (CID 10609358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).