1-methyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one

C15H10F3N3O2 — CID 58439395

IUPAC1-methyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one
SMILESCn1cnc(=O)c2cc(Oc3ncccc3C(F)(F)F)ccc21
InChIInChI=1S/C15H10F3N3O2/c1-21-8-20-13(22)10-7-9(4-5-12(10)21)23-14-11(15(16,17)18)3-2-6-19-14/h2-8H,1H3
InChIKeyAGZFPQIYJNBIPK-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.14
Rot. Bonds2

About 1-methyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one

1-methyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one (PubChem CID 58439395) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 1-methyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one.

Molecular Properties

Compound Name1-methyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one
PubChem CID58439395
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name1-methyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one
SMILESCn1cnc(=O)c2cc(Oc3ncccc3C(F)(F)F)ccc21
InChIInChI=1S/C15H10F3N3O2/c1-21-8-20-13(22)10-7-9(4-5-12(10)21)23-14-11(15(16,17)18)3-2-6-19-14/h2-8H,1H3
InChIKeyAGZFPQIYJNBIPK-UHFFFAOYSA-N
XLogP3.14
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one?
The IUPAC name of 1-methyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one (CID 58439395) is 1-methyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one.
What is the SMILES notation for 1-methyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one?
The canonical SMILES for 1-methyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one is Cn1cnc(=O)c2cc(Oc3ncccc3C(F)(F)F)ccc21.
What is the InChIKey of 1-methyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one?
The InChIKey is AGZFPQIYJNBIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c1-21-8-20-13(22)10-7-9(4-5-12(10)21)23-14-11(15(16,17)18)3-2-6-19-14/h2-8H,1H3.
What are the key properties of 1-methyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one?
1-methyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one has a molecular weight of 321.26 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one is sourced from PubChem (CID 58439395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).