6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyridin-2-ylquinazolin-4-amine

C20H15FN4O3S — CID 45483612

IUPAC6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyridin-2-ylquinazolin-4-amine
SMILESCS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3ccccn3)c2c1
InChIInChI=1S/C20H15FN4O3S/c1-29(26,27)17-6-4-5-15(21)19(17)28-13-8-9-16-14(11-13)20(24-12-23-16)25-18-7-2-3-10-22-18/h2-12H,1H3,(H,22,23,24,25)
InChIKeyGBCXGXUCWUJGOS-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.10
Rot. Bonds5

About 6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyridin-2-ylquinazolin-4-amine

6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyridin-2-ylquinazolin-4-amine (PubChem CID 45483612) has the molecular formula C20H15FN4O3S and a molecular weight of 410.43 g/mol. Its IUPAC name is 6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyridin-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyridin-2-ylquinazolin-4-amine
PubChem CID45483612
Molecular FormulaC20H15FN4O3S
Molecular Weight410.43 g/mol
Exact Mass410.08
IUPAC Name6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyridin-2-ylquinazolin-4-amine
SMILESCS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3ccccn3)c2c1
InChIInChI=1S/C20H15FN4O3S/c1-29(26,27)17-6-4-5-15(21)19(17)28-13-8-9-16-14(11-13)20(24-12-23-16)25-18-7-2-3-10-22-18/h2-12H,1H3,(H,22,23,24,25)
InChIKeyGBCXGXUCWUJGOS-UHFFFAOYSA-N
XLogP4.10
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyridin-2-ylquinazolin-4-amine?
The IUPAC name of 6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyridin-2-ylquinazolin-4-amine (CID 45483612) is 6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyridin-2-ylquinazolin-4-amine.
What is the SMILES notation for 6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyridin-2-ylquinazolin-4-amine?
The canonical SMILES for 6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyridin-2-ylquinazolin-4-amine is CS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3ccccn3)c2c1.
What is the InChIKey of 6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyridin-2-ylquinazolin-4-amine?
The InChIKey is GBCXGXUCWUJGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3S/c1-29(26,27)17-6-4-5-15(21)19(17)28-13-8-9-16-14(11-13)20(24-12-23-16)25-18-7-2-3-10-22-18/h2-12H,1H3,(H,22,23,24,25).
What are the key properties of 6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyridin-2-ylquinazolin-4-amine?
6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyridin-2-ylquinazolin-4-amine has a molecular weight of 410.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyridin-2-ylquinazolin-4-amine is sourced from PubChem (CID 45483612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).