piperazin-1-yl-[6-[6-(trifluoromethyl)pyridazin-3-yl]oxyquinolin-2-yl]methanone

C19H16F3N5O2 — CID 118273611

IUPACpiperazin-1-yl-[6-[6-(trifluoromethyl)pyridazin-3-yl]oxyquinolin-2-yl]methanone
SMILESO=C(c1ccc2cc(Oc3ccc(C(F)(F)F)nn3)ccc2n1)N1CCNCC1
InChIInChI=1S/C19H16F3N5O2/c20-19(21,22)16-5-6-17(26-25-16)29-13-2-4-14-12(11-13)1-3-15(24-14)18(28)27-9-7-23-8-10-27/h1-6,11,23H,7-10H2
InChIKeyIVDZDNBTEATXQK-UHFFFAOYSA-N
MW403.36 g/mol
LogP2.88
Rot. Bonds3

About piperazin-1-yl-[6-[6-(trifluoromethyl)pyridazin-3-yl]oxyquinolin-2-yl]methanone

piperazin-1-yl-[6-[6-(trifluoromethyl)pyridazin-3-yl]oxyquinolin-2-yl]methanone (PubChem CID 118273611) has the molecular formula C19H16F3N5O2 and a molecular weight of 403.36 g/mol. Its IUPAC name is piperazin-1-yl-[6-[6-(trifluoromethyl)pyridazin-3-yl]oxyquinolin-2-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[6-[6-(trifluoromethyl)pyridazin-3-yl]oxyquinolin-2-yl]methanone
PubChem CID118273611
Molecular FormulaC19H16F3N5O2
Molecular Weight403.36 g/mol
Exact Mass403.13
IUPAC Namepiperazin-1-yl-[6-[6-(trifluoromethyl)pyridazin-3-yl]oxyquinolin-2-yl]methanone
SMILESO=C(c1ccc2cc(Oc3ccc(C(F)(F)F)nn3)ccc2n1)N1CCNCC1
InChIInChI=1S/C19H16F3N5O2/c20-19(21,22)16-5-6-17(26-25-16)29-13-2-4-14-12(11-13)1-3-15(24-14)18(28)27-9-7-23-8-10-27/h1-6,11,23H,7-10H2
InChIKeyIVDZDNBTEATXQK-UHFFFAOYSA-N
XLogP2.88
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

pyrrolidine;pyrrolidin-1-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 159673625
[6-(5-fluoropyrimidin-2-yl)oxyquinolin-2-yl]-piperazin-1-ylmethanone
CID 118273484
(6-fluoro-1,4-diazepan-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273380
[(3R)-3-(hydroxymethyl)piperazin-1-yl]-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273401
(4-methylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273889
(6-hydroxyquinolin-2-yl)-piperazin-1-ylmethanone
CID 150186981
(4-hydroxy-4-methylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273886
[(3R)-3-ethylpiperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273992
(4-phenylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273506
1,4-diazepan-1-yl-(6-fluoroquinolin-2-yl)methanone
CID 110464458
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273508
(4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273807

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[6-[6-(trifluoromethyl)pyridazin-3-yl]oxyquinolin-2-yl]methanone?
The IUPAC name of piperazin-1-yl-[6-[6-(trifluoromethyl)pyridazin-3-yl]oxyquinolin-2-yl]methanone (CID 118273611) is piperazin-1-yl-[6-[6-(trifluoromethyl)pyridazin-3-yl]oxyquinolin-2-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[6-[6-(trifluoromethyl)pyridazin-3-yl]oxyquinolin-2-yl]methanone?
The canonical SMILES for piperazin-1-yl-[6-[6-(trifluoromethyl)pyridazin-3-yl]oxyquinolin-2-yl]methanone is O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)nn3)ccc2n1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[6-[6-(trifluoromethyl)pyridazin-3-yl]oxyquinolin-2-yl]methanone?
The InChIKey is IVDZDNBTEATXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O2/c20-19(21,22)16-5-6-17(26-25-16)29-13-2-4-14-12(11-13)1-3-15(24-14)18(28)27-9-7-23-8-10-27/h1-6,11,23H,7-10H2.
What are the key properties of piperazin-1-yl-[6-[6-(trifluoromethyl)pyridazin-3-yl]oxyquinolin-2-yl]methanone?
piperazin-1-yl-[6-[6-(trifluoromethyl)pyridazin-3-yl]oxyquinolin-2-yl]methanone has a molecular weight of 403.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[6-[6-(trifluoromethyl)pyridazin-3-yl]oxyquinolin-2-yl]methanone is sourced from PubChem (CID 118273611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).