6-[2-fluoro-6-(fluoromethyl)phenoxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine

C19H15F2N5O — CID 23160268

IUPAC6-[2-fluoro-6-(fluoromethyl)phenoxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
SMILESCn1ccc(Nc2ncnc3ccc(Oc4c(F)cccc4CF)cc23)n1
InChIInChI=1S/C19H15F2N5O/c1-26-8-7-17(25-26)24-19-14-9-13(5-6-16(14)22-11-23-19)27-18-12(10-20)3-2-4-15(18)21/h2-9,11H,10H2,1H3,(H,22,23,24,25)
InChIKeyGZFXQALPAMVBAD-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.51
Rot. Bonds5

About 6-[2-fluoro-6-(fluoromethyl)phenoxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine

6-[2-fluoro-6-(fluoromethyl)phenoxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine (PubChem CID 23160268) has the molecular formula C19H15F2N5O and a molecular weight of 367.36 g/mol. Its IUPAC name is 6-[2-fluoro-6-(fluoromethyl)phenoxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-[2-fluoro-6-(fluoromethyl)phenoxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
PubChem CID23160268
Molecular FormulaC19H15F2N5O
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name6-[2-fluoro-6-(fluoromethyl)phenoxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
SMILESCn1ccc(Nc2ncnc3ccc(Oc4c(F)cccc4CF)cc23)n1
InChIInChI=1S/C19H15F2N5O/c1-26-8-7-17(25-26)24-19-14-9-13(5-6-16(14)22-11-23-19)27-18-12(10-20)3-2-4-15(18)21/h2-9,11H,10H2,1H3,(H,22,23,24,25)
InChIKeyGZFXQALPAMVBAD-UHFFFAOYSA-N
XLogP4.51
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.51
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-(fluoromethyl)phenoxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 6-[2-fluoro-6-(fluoromethyl)phenoxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine (CID 23160268) is 6-[2-fluoro-6-(fluoromethyl)phenoxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 6-[2-fluoro-6-(fluoromethyl)phenoxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 6-[2-fluoro-6-(fluoromethyl)phenoxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine is Cn1ccc(Nc2ncnc3ccc(Oc4c(F)cccc4CF)cc23)n1.
What is the InChIKey of 6-[2-fluoro-6-(fluoromethyl)phenoxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
The InChIKey is GZFXQALPAMVBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O/c1-26-8-7-17(25-26)24-19-14-9-13(5-6-16(14)22-11-23-19)27-18-12(10-20)3-2-4-15(18)21/h2-9,11H,10H2,1H3,(H,22,23,24,25).
What are the key properties of 6-[2-fluoro-6-(fluoromethyl)phenoxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
6-[2-fluoro-6-(fluoromethyl)phenoxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine has a molecular weight of 367.36 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-6-(fluoromethyl)phenoxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 23160268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).