(4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone

C22H19F3N4O3 — CID 118273807

IUPAC(4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
SMILESCON=C1CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CC1
InChIInChI=1S/C22H19F3N4O3/c1-31-28-16-8-10-29(11-9-16)21(30)19-5-2-14-12-17(4-6-18(14)27-19)32-20-7-3-15(13-26-20)22(23,24)25/h2-7,12-13H,8-11H2,1H3
InChIKeyHDVADOYYGYXCJT-UHFFFAOYSA-N
MW444.41 g/mol
LogP4.68
Rot. Bonds4

About (4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone

(4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone (PubChem CID 118273807) has the molecular formula C22H19F3N4O3 and a molecular weight of 444.41 g/mol. Its IUPAC name is (4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.

Molecular Properties

Compound Name(4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
PubChem CID118273807
Molecular FormulaC22H19F3N4O3
Molecular Weight444.41 g/mol
Exact Mass444.14
IUPAC Name(4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
SMILESCON=C1CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CC1
InChIInChI=1S/C22H19F3N4O3/c1-31-28-16-8-10-29(11-9-16)21(30)19-5-2-14-12-17(4-6-18(14)27-19)32-20-7-3-15(13-26-20)22(23,24)25/h2-7,12-13H,8-11H2,1H3
InChIKeyHDVADOYYGYXCJT-UHFFFAOYSA-N
XLogP4.68
TPSA76.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-methylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273889
(4-hydroxy-4-methylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273886
pyrrolidine;pyrrolidin-1-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 159673625
[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273405
(3-hydroxy-4-methoxypyrrolidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273812
(4-phenylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273506
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273508
(4-piperidin-1-ylsulfonylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118274014
(2S)-2-methyl-4-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]piperazine-1-carboxylic acid
CID 118273456
[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]methanone
CID 122549607
6-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136947762
[(3R)-3-ethylpiperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273992

Frequently Asked Questions

What is the IUPAC name of (4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The IUPAC name of (4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone (CID 118273807) is (4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.
What is the SMILES notation for (4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The canonical SMILES for (4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone is CON=C1CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CC1.
What is the InChIKey of (4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The InChIKey is HDVADOYYGYXCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O3/c1-31-28-16-8-10-29(11-9-16)21(30)19-5-2-14-12-17(4-6-18(14)27-19)32-20-7-3-15(13-26-20)22(23,24)25/h2-7,12-13H,8-11H2,1H3.
What are the key properties of (4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
(4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone has a molecular weight of 444.41 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone is sourced from PubChem (CID 118273807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).