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

C12H5ClFN3O3 — CID 59743236

IUPAC4-chloro-7-fluoro-2-(5-nitrofuran-2-yl)quinazoline
SMILESO=[N+]([O-])c1ccc(-c2nc(Cl)c3ccc(F)cc3n2)o1
InChIInChI=1S/C12H5ClFN3O3/c13-11-7-2-1-6(14)5-8(7)15-12(16-11)9-3-4-10(20-9)17(18)19/h1-5H
InChIKeyVCXFPFJEHIVHIU-UHFFFAOYSA-N
MW293.64 g/mol
LogP3.59
Rot. Bonds2

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

4-chloro-7-fluoro-2-(5-nitrofuran-2-yl)quinazoline (PubChem CID 59743236) has the molecular formula C12H5ClFN3O3 and a molecular weight of 293.64 g/mol. Its IUPAC name is 4-chloro-7-fluoro-2-(5-nitrofuran-2-yl)quinazoline.

Molecular Properties

Compound Name4-chloro-7-fluoro-2-(5-nitrofuran-2-yl)quinazoline
PubChem CID59743236
Molecular FormulaC12H5ClFN3O3
Molecular Weight293.64 g/mol
Exact Mass293.00
IUPAC Name4-chloro-7-fluoro-2-(5-nitrofuran-2-yl)quinazoline
SMILESO=[N+]([O-])c1ccc(-c2nc(Cl)c3ccc(F)cc3n2)o1
InChIInChI=1S/C12H5ClFN3O3/c13-11-7-2-1-6(14)5-8(7)15-12(16-11)9-3-4-10(20-9)17(18)19/h1-5H
InChIKeyVCXFPFJEHIVHIU-UHFFFAOYSA-N
XLogP3.59
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.64
LogP ≤ 53.59
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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Related Compounds

4-chloro-7-fluoro-2-(5-nitrosofuran-2-yl)quinazoline
CID 89267269
4-chloro-2-(4-chlorophenyl)-7-fluoroquinazoline
CID 53407921
2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline
CID 53249844
4-chloro-7-fluoro-2-(2-methylphenyl)quinazoline
CID 63083992
4-chloro-2-(2,5-dibromothiophen-3-yl)-7-fluoroquinazoline
CID 107960345
4-chloro-7-fluoro-2-(2-methylsulfanylphenyl)quinazoline
CID 79215695
7-fluoro-2-[2-(5-nitrofuran-2-yl)ethenyl]-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine
CID 69229320
(2R,3S,4R,5R,6S)-2-[5-fluoro-2-(5-nitrofuran-2-yl)benzimidazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10341438
2,4-dichloro-7-nitroquinazoline
CID 12703362
2-chloro-3-(5-nitrofuran-2-yl)pyridine
CID 165356727
7-bromo-4-chloro-2-(4-fluorophenyl)quinazoline
CID 114590501
4,7-dichloro-2-(1-methyl-5-nitroimidazol-2-yl)quinazoline
CID 71392924

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-2-(5-nitrofuran-2-yl)quinazoline?
The IUPAC name of 4-chloro-7-fluoro-2-(5-nitrofuran-2-yl)quinazoline (CID 59743236) is 4-chloro-7-fluoro-2-(5-nitrofuran-2-yl)quinazoline.
What is the SMILES notation for 4-chloro-7-fluoro-2-(5-nitrofuran-2-yl)quinazoline?
The canonical SMILES for 4-chloro-7-fluoro-2-(5-nitrofuran-2-yl)quinazoline is O=[N+]([O-])c1ccc(-c2nc(Cl)c3ccc(F)cc3n2)o1.
What is the InChIKey of 4-chloro-7-fluoro-2-(5-nitrofuran-2-yl)quinazoline?
The InChIKey is VCXFPFJEHIVHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClFN3O3/c13-11-7-2-1-6(14)5-8(7)15-12(16-11)9-3-4-10(20-9)17(18)19/h1-5H.
What are the key properties of 4-chloro-7-fluoro-2-(5-nitrofuran-2-yl)quinazoline?
4-chloro-7-fluoro-2-(5-nitrofuran-2-yl)quinazoline has a molecular weight of 293.64 g/mol, XLogP of 3.59, 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-nitrofuran-2-yl)quinazoline is sourced from PubChem (CID 59743236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).