N-(5-chloropyrazin-2-yl)-6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine

C19H13ClFN5O3S — CID 23160285

IUPACN-(5-chloropyrazin-2-yl)-6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine
SMILESCS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3cnc(Cl)cn3)c2c1
InChIInChI=1S/C19H13ClFN5O3S/c1-30(27,28)15-4-2-3-13(21)18(15)29-11-5-6-14-12(7-11)19(25-10-24-14)26-17-9-22-16(20)8-23-17/h2-10H,1H3,(H,23,24,25,26)
InChIKeyIFNNKNURSXXLRT-UHFFFAOYSA-N
MW445.86 g/mol
LogP4.15
Rot. Bonds5

About N-(5-chloropyrazin-2-yl)-6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine

N-(5-chloropyrazin-2-yl)-6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine (PubChem CID 23160285) has the molecular formula C19H13ClFN5O3S and a molecular weight of 445.86 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine
PubChem CID23160285
Molecular FormulaC19H13ClFN5O3S
Molecular Weight445.86 g/mol
Exact Mass445.04
IUPAC NameN-(5-chloropyrazin-2-yl)-6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine
SMILESCS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3cnc(Cl)cn3)c2c1
InChIInChI=1S/C19H13ClFN5O3S/c1-30(27,28)15-4-2-3-13(21)18(15)29-11-5-6-14-12(7-11)19(25-10-24-14)26-17-9-22-16(20)8-23-17/h2-10H,1H3,(H,23,24,25,26)
InChIKeyIFNNKNURSXXLRT-UHFFFAOYSA-N
XLogP4.15
TPSA106.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.86
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine?
The IUPAC name of N-(5-chloropyrazin-2-yl)-6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine (CID 23160285) is N-(5-chloropyrazin-2-yl)-6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine is CS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3cnc(Cl)cn3)c2c1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine?
The InChIKey is IFNNKNURSXXLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN5O3S/c1-30(27,28)15-4-2-3-13(21)18(15)29-11-5-6-14-12(7-11)19(25-10-24-14)26-17-9-22-16(20)8-23-17/h2-10H,1H3,(H,23,24,25,26).
What are the key properties of N-(5-chloropyrazin-2-yl)-6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine?
N-(5-chloropyrazin-2-yl)-6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine has a molecular weight of 445.86 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)-6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine is sourced from PubChem (CID 23160285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).