4-chloro-7-fluoro-2-(5-nitrosofuran-2-yl)quinazoline

C12H5ClFN3O2 — CID 89267269

IUPAC4-chloro-7-fluoro-2-(5-nitrosofuran-2-yl)quinazoline
SMILESO=Nc1ccc(-c2nc(Cl)c3ccc(F)cc3n2)o1
InChIInChI=1S/C12H5ClFN3O2/c13-11-7-2-1-6(14)5-8(7)15-12(16-11)9-3-4-10(17-18)19-9/h1-5H
InChIKeyWUDWVARBKVPDNL-UHFFFAOYSA-N
MW277.64 g/mol
LogP4.08
Rot. Bonds2

About 4-chloro-7-fluoro-2-(5-nitrosofuran-2-yl)quinazoline

4-chloro-7-fluoro-2-(5-nitrosofuran-2-yl)quinazoline (PubChem CID 89267269) has the molecular formula C12H5ClFN3O2 and a molecular weight of 277.64 g/mol. Its IUPAC name is 4-chloro-7-fluoro-2-(5-nitrosofuran-2-yl)quinazoline.

Molecular Properties

Compound Name4-chloro-7-fluoro-2-(5-nitrosofuran-2-yl)quinazoline
PubChem CID89267269
Molecular FormulaC12H5ClFN3O2
Molecular Weight277.64 g/mol
Exact Mass277.01
IUPAC Name4-chloro-7-fluoro-2-(5-nitrosofuran-2-yl)quinazoline
SMILESO=Nc1ccc(-c2nc(Cl)c3ccc(F)cc3n2)o1
InChIInChI=1S/C12H5ClFN3O2/c13-11-7-2-1-6(14)5-8(7)15-12(16-11)9-3-4-10(17-18)19-9/h1-5H
InChIKeyWUDWVARBKVPDNL-UHFFFAOYSA-N
XLogP4.08
TPSA68.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.64
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-2-(5-nitrosofuran-2-yl)quinazoline?
The IUPAC name of 4-chloro-7-fluoro-2-(5-nitrosofuran-2-yl)quinazoline (CID 89267269) is 4-chloro-7-fluoro-2-(5-nitrosofuran-2-yl)quinazoline.
What is the SMILES notation for 4-chloro-7-fluoro-2-(5-nitrosofuran-2-yl)quinazoline?
The canonical SMILES for 4-chloro-7-fluoro-2-(5-nitrosofuran-2-yl)quinazoline is O=Nc1ccc(-c2nc(Cl)c3ccc(F)cc3n2)o1.
What is the InChIKey of 4-chloro-7-fluoro-2-(5-nitrosofuran-2-yl)quinazoline?
The InChIKey is WUDWVARBKVPDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClFN3O2/c13-11-7-2-1-6(14)5-8(7)15-12(16-11)9-3-4-10(17-18)19-9/h1-5H.
What are the key properties of 4-chloro-7-fluoro-2-(5-nitrosofuran-2-yl)quinazoline?
4-chloro-7-fluoro-2-(5-nitrosofuran-2-yl)quinazoline has a molecular weight of 277.64 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-2-(5-nitrosofuran-2-yl)quinazoline is sourced from PubChem (CID 89267269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).