6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine

C15H12FN3O3S — CID 23160309

IUPAC6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine
SMILESCS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(N)c2c1
InChIInChI=1S/C15H12FN3O3S/c1-23(20,21)13-4-2-3-11(16)14(13)22-9-5-6-12-10(7-9)15(17)19-8-18-12/h2-8H,1H3,(H2,17,18,19)
InChIKeyWQYVCCPUGJMOEH-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.55
Rot. Bonds3

About 6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine

6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine (PubChem CID 23160309) has the molecular formula C15H12FN3O3S and a molecular weight of 333.34 g/mol. Its IUPAC name is 6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine.

Molecular Properties

Compound Name6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine
PubChem CID23160309
Molecular FormulaC15H12FN3O3S
Molecular Weight333.34 g/mol
Exact Mass333.06
IUPAC Name6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine
SMILESCS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(N)c2c1
InChIInChI=1S/C15H12FN3O3S/c1-23(20,21)13-4-2-3-11(16)14(13)22-9-5-6-12-10(7-9)15(17)19-8-18-12/h2-8H,1H3,(H2,17,18,19)
InChIKeyWQYVCCPUGJMOEH-UHFFFAOYSA-N
XLogP2.55
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine?
The IUPAC name of 6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine (CID 23160309) is 6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine.
What is the SMILES notation for 6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine?
The canonical SMILES for 6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine is CS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(N)c2c1.
What is the InChIKey of 6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine?
The InChIKey is WQYVCCPUGJMOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O3S/c1-23(20,21)13-4-2-3-11(16)14(13)22-9-5-6-12-10(7-9)15(17)19-8-18-12/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine?
6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine has a molecular weight of 333.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine is sourced from PubChem (CID 23160309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).