8-[4-methoxy-6-(trifluoromethyl)pyridazin-3-yl]quinoline

C15H10F3N3O — CID 165372258

IUPAC8-[4-methoxy-6-(trifluoromethyl)pyridazin-3-yl]quinoline
SMILESCOc1cc(C(F)(F)F)nnc1-c1cccc2cccnc12
InChIInChI=1S/C15H10F3N3O/c1-22-11-8-12(15(16,17)18)20-21-14(11)10-6-2-4-9-5-3-7-19-13(9)10/h2-8H,1H3
InChIKeyPPPYGCAGMLKDPX-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.72
Rot. Bonds2

About 8-[4-methoxy-6-(trifluoromethyl)pyridazin-3-yl]quinoline

8-[4-methoxy-6-(trifluoromethyl)pyridazin-3-yl]quinoline (PubChem CID 165372258) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 8-[4-methoxy-6-(trifluoromethyl)pyridazin-3-yl]quinoline.

Molecular Properties

Compound Name8-[4-methoxy-6-(trifluoromethyl)pyridazin-3-yl]quinoline
PubChem CID165372258
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name8-[4-methoxy-6-(trifluoromethyl)pyridazin-3-yl]quinoline
SMILESCOc1cc(C(F)(F)F)nnc1-c1cccc2cccnc12
InChIInChI=1S/C15H10F3N3O/c1-22-11-8-12(15(16,17)18)20-21-14(11)10-6-2-4-9-5-3-7-19-13(9)10/h2-8H,1H3
InChIKeyPPPYGCAGMLKDPX-UHFFFAOYSA-N
XLogP3.72
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[4-methoxy-6-(trifluoromethyl)pyridazin-3-yl]quinoline?
The IUPAC name of 8-[4-methoxy-6-(trifluoromethyl)pyridazin-3-yl]quinoline (CID 165372258) is 8-[4-methoxy-6-(trifluoromethyl)pyridazin-3-yl]quinoline.
What is the SMILES notation for 8-[4-methoxy-6-(trifluoromethyl)pyridazin-3-yl]quinoline?
The canonical SMILES for 8-[4-methoxy-6-(trifluoromethyl)pyridazin-3-yl]quinoline is COc1cc(C(F)(F)F)nnc1-c1cccc2cccnc12.
What is the InChIKey of 8-[4-methoxy-6-(trifluoromethyl)pyridazin-3-yl]quinoline?
The InChIKey is PPPYGCAGMLKDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c1-22-11-8-12(15(16,17)18)20-21-14(11)10-6-2-4-9-5-3-7-19-13(9)10/h2-8H,1H3.
What are the key properties of 8-[4-methoxy-6-(trifluoromethyl)pyridazin-3-yl]quinoline?
8-[4-methoxy-6-(trifluoromethyl)pyridazin-3-yl]quinoline has a molecular weight of 305.26 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-methoxy-6-(trifluoromethyl)pyridazin-3-yl]quinoline is sourced from PubChem (CID 165372258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).