[(3R)-3-fluoropyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone

C20H15F4N3O2 — CID 118273623

IUPAC[(3R)-3-fluoropyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
SMILESO=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC[C@@H](F)C1
InChIInChI=1S/C20H15F4N3O2/c21-14-7-8-27(11-14)19(28)17-4-1-12-9-15(3-5-16(12)26-17)29-18-6-2-13(10-25-18)20(22,23)24/h1-6,9-10,14H,7-8,11H2/t14-/m1/s1
InChIKeyFWLFRXVPNVBXGR-CQSZACIVSA-N
MW405.35 g/mol
LogP4.62
Rot. Bonds3

About [(3R)-3-fluoropyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone

[(3R)-3-fluoropyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone (PubChem CID 118273623) has the molecular formula C20H15F4N3O2 and a molecular weight of 405.35 g/mol. Its IUPAC name is [(3R)-3-fluoropyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-fluoropyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
PubChem CID118273623
Molecular FormulaC20H15F4N3O2
Molecular Weight405.35 g/mol
Exact Mass405.11
IUPAC Name[(3R)-3-fluoropyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
SMILESO=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC[C@@H](F)C1
InChIInChI=1S/C20H15F4N3O2/c21-14-7-8-27(11-14)19(28)17-4-1-12-9-15(3-5-16(12)26-17)29-18-6-2-13(10-25-18)20(22,23)24/h1-6,9-10,14H,7-8,11H2/t14-/m1/s1
InChIKeyFWLFRXVPNVBXGR-CQSZACIVSA-N
XLogP4.62
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.35
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-fluoropyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone with MolForge

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Related Compounds

Biarylether amide quinoline, 4d
CID 44472994
Biarylether amide quinoline, 4e
CID 44472995
Biarylether amide quinoline, 4f
CID 44472996
(5-(1-isopropylpiperidin-4-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)(morpholino)methanone
CID 11503379
(4,4-difluoropiperidin-1-yl)(5-(1-isopropylpiperidin-4-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)methanone
CID 11663122
(5-(1-cyclobutylpiperidin-4-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)(morpholino)methanone
CID 44184902
(5-(1-cyclopropylpiperidin-4-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)(morpholino)methanone
CID 44184949
5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 2809798
Azetidin-1-yl(6-(1-isopropylpiperidin-4-yloxy)quinolin-2-yl)methanone
CID 11508633
1-(2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-isopropylpiperidin-4-yloxy)-1H-indol-1-yl)ethanone
CID 11510623
(6-(1-Isopropylpiperidin-4-yloxy)quinolin-2-yl)(morpholino)methanone
CID 11567158
Azetidin-1-yl(6-(3-(piperidin-1-yl)propoxy)quinolin-2-yl)methanone
CID 11617313

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-fluoropyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The IUPAC name of [(3R)-3-fluoropyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone (CID 118273623) is [(3R)-3-fluoropyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.
What is the SMILES notation for [(3R)-3-fluoropyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The canonical SMILES for [(3R)-3-fluoropyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone is O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC[C@@H](F)C1.
What is the InChIKey of [(3R)-3-fluoropyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The InChIKey is FWLFRXVPNVBXGR-CQSZACIVSA-N. The full InChI is InChI=1S/C20H15F4N3O2/c21-14-7-8-27(11-14)19(28)17-4-1-12-9-15(3-5-16(12)26-17)29-18-6-2-13(10-25-18)20(22,23)24/h1-6,9-10,14H,7-8,11H2/t14-/m1/s1.
What are the key properties of [(3R)-3-fluoropyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
[(3R)-3-fluoropyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone has a molecular weight of 405.35 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-fluoropyrrolidin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone is sourced from PubChem (CID 118273623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).