6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-[3-(trifluoromethyl)pyrrol-1-yl]quinoline

C20H11F6N3O — CID 118295313

IUPAC6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-[3-(trifluoromethyl)pyrrol-1-yl]quinoline
SMILESFC(F)(F)c1ccc(Oc2ccc3nc(-n4ccc(C(F)(F)F)c4)ccc3c2)nc1
InChIInChI=1S/C20H11F6N3O/c21-19(22,23)13-2-6-18(27-10-13)30-15-3-4-16-12(9-15)1-5-17(28-16)29-8-7-14(11-29)20(24,25)26/h1-11H
InChIKeyHEYSHLWEUIFPAQ-UHFFFAOYSA-N
MW423.32 g/mol
LogP6.25
Rot. Bonds3

About 6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-[3-(trifluoromethyl)pyrrol-1-yl]quinoline

6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-[3-(trifluoromethyl)pyrrol-1-yl]quinoline (PubChem CID 118295313) has the molecular formula C20H11F6N3O and a molecular weight of 423.32 g/mol. Its IUPAC name is 6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-[3-(trifluoromethyl)pyrrol-1-yl]quinoline.

Molecular Properties

Compound Name6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-[3-(trifluoromethyl)pyrrol-1-yl]quinoline
PubChem CID118295313
Molecular FormulaC20H11F6N3O
Molecular Weight423.32 g/mol
Exact Mass423.08
IUPAC Name6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-[3-(trifluoromethyl)pyrrol-1-yl]quinoline
SMILESFC(F)(F)c1ccc(Oc2ccc3nc(-n4ccc(C(F)(F)F)c4)ccc3c2)nc1
InChIInChI=1S/C20H11F6N3O/c21-19(22,23)13-2-6-18(27-10-13)30-15-3-4-16-12(9-15)1-5-17(28-16)29-8-7-14(11-29)20(24,25)26/h1-11H
InChIKeyHEYSHLWEUIFPAQ-UHFFFAOYSA-N
XLogP6.25
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.32
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273889
[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273405
N-(2-hydroxycyclopentyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118295367
(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
(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-methoxyiminopiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273807
(4-piperidin-1-ylsulfonylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118274014
N-(3-cyanopropyl)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273488
N-[2-(diethylamino)-2-oxoethyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-2-carboxamide
CID 118273392

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-[3-(trifluoromethyl)pyrrol-1-yl]quinoline?
The IUPAC name of 6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-[3-(trifluoromethyl)pyrrol-1-yl]quinoline (CID 118295313) is 6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-[3-(trifluoromethyl)pyrrol-1-yl]quinoline.
What is the SMILES notation for 6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-[3-(trifluoromethyl)pyrrol-1-yl]quinoline?
The canonical SMILES for 6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-[3-(trifluoromethyl)pyrrol-1-yl]quinoline is FC(F)(F)c1ccc(Oc2ccc3nc(-n4ccc(C(F)(F)F)c4)ccc3c2)nc1.
What is the InChIKey of 6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-[3-(trifluoromethyl)pyrrol-1-yl]quinoline?
The InChIKey is HEYSHLWEUIFPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F6N3O/c21-19(22,23)13-2-6-18(27-10-13)30-15-3-4-16-12(9-15)1-5-17(28-16)29-8-7-14(11-29)20(24,25)26/h1-11H.
What are the key properties of 6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-[3-(trifluoromethyl)pyrrol-1-yl]quinoline?
6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-[3-(trifluoromethyl)pyrrol-1-yl]quinoline has a molecular weight of 423.32 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-[3-(trifluoromethyl)pyrrol-1-yl]quinoline is sourced from PubChem (CID 118295313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).