[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C20H16F3N3O2 — CID 124728047

IUPAC[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](Oc2cccc3cccnc23)C1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)17-7-6-14(11-25-17)19(27)26-10-8-15(12-26)28-16-5-1-3-13-4-2-9-24-18(13)16/h1-7,9,11,15H,8,10,12H2/t15-/m1/s1
InChIKeyWHUQGMKBVCRYHV-OAHLLOKOSA-N
MW387.36 g/mol
LogP3.94
Rot. Bonds3

About [(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 124728047) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is [(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID124728047
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](Oc2cccc3cccnc23)C1
InChIInChI=1S/C20H16F3N3O2/c21-20(22,23)17-7-6-14(11-25-17)19(27)26-10-8-15(12-26)28-16-5-1-3-13-4-2-9-24-18(13)16/h1-7,9,11,15H,8,10,12H2/t15-/m1/s1
InChIKeyWHUQGMKBVCRYHV-OAHLLOKOSA-N
XLogP3.94
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

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Related Compounds

(3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122243290
[4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157245
[4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157244
2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one
CID 124846967
2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
CID 124760974
(3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157254
(3-hydroxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62917121
furan-3-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625340
(3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide
CID 124863649
2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
CID 124760007
2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone
CID 121157257
2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953341

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 124728047) is [(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](Oc2cccc3cccnc23)C1.
What is the InChIKey of [(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is WHUQGMKBVCRYHV-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-20(22,23)17-7-6-14(11-25-17)19(27)26-10-8-15(12-26)28-16-5-1-3-13-4-2-9-24-18(13)16/h1-7,9,11,15H,8,10,12H2/t15-/m1/s1.
What are the key properties of [(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 387.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 124728047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).