6-[6-(trifluoromethyl)pyridazin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one

C14H10F3N3O2 — CID 133433226

IUPAC6-[6-(trifluoromethyl)pyridazin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Oc3ccc(C(F)(F)F)nn3)ccc2N1
InChIInChI=1S/C14H10F3N3O2/c15-14(16,17)11-4-6-13(20-19-11)22-9-2-3-10-8(7-9)1-5-12(21)18-10/h2-4,6-7H,1,5H2,(H,18,21)
InChIKeyQRNVNCLRKLQODO-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.17
Rot. Bonds2

About 6-[6-(trifluoromethyl)pyridazin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one

6-[6-(trifluoromethyl)pyridazin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 133433226) has the molecular formula C14H10F3N3O2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 6-[6-(trifluoromethyl)pyridazin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[6-(trifluoromethyl)pyridazin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID133433226
Molecular FormulaC14H10F3N3O2
Molecular Weight309.25 g/mol
Exact Mass309.07
IUPAC Name6-[6-(trifluoromethyl)pyridazin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Oc3ccc(C(F)(F)F)nn3)ccc2N1
InChIInChI=1S/C14H10F3N3O2/c15-14(16,17)11-4-6-13(20-19-11)22-9-2-3-10-8(7-9)1-5-12(21)18-10/h2-4,6-7H,1,5H2,(H,18,21)
InChIKeyQRNVNCLRKLQODO-UHFFFAOYSA-N
XLogP3.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(trifluoromethyl)pyridazin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[6-(trifluoromethyl)pyridazin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one (CID 133433226) is 6-[6-(trifluoromethyl)pyridazin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[6-(trifluoromethyl)pyridazin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[6-(trifluoromethyl)pyridazin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Oc3ccc(C(F)(F)F)nn3)ccc2N1.
What is the InChIKey of 6-[6-(trifluoromethyl)pyridazin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QRNVNCLRKLQODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2/c15-14(16,17)11-4-6-13(20-19-11)22-9-2-3-10-8(7-9)1-5-12(21)18-10/h2-4,6-7H,1,5H2,(H,18,21).
What are the key properties of 6-[6-(trifluoromethyl)pyridazin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one?
6-[6-(trifluoromethyl)pyridazin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 309.25 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(trifluoromethyl)pyridazin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 133433226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).