1-[(2R)-2-phenylpyrrolidin-1-yl]-2-quinolin-4-yloxyethanone

C21H20N2O2 — CID 141217853

IUPAC1-[(2R)-2-phenylpyrrolidin-1-yl]-2-quinolin-4-yloxyethanone
SMILESO=C(COc1ccnc2ccccc12)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C21H20N2O2/c24-21(23-14-6-11-19(23)16-7-2-1-3-8-16)15-25-20-12-13-22-18-10-5-4-9-17(18)20/h1-5,7-10,12-13,19H,6,11,14-15H2/t19-/m1/s1
InChIKeyUAOJJVSHGBDZBD-LJQANCHMSA-N
MW332.40 g/mol
LogP3.98
Rot. Bonds4

About 1-[(2R)-2-phenylpyrrolidin-1-yl]-2-quinolin-4-yloxyethanone

1-[(2R)-2-phenylpyrrolidin-1-yl]-2-quinolin-4-yloxyethanone (PubChem CID 141217853) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-[(2R)-2-phenylpyrrolidin-1-yl]-2-quinolin-4-yloxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-phenylpyrrolidin-1-yl]-2-quinolin-4-yloxyethanone
PubChem CID141217853
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1-[(2R)-2-phenylpyrrolidin-1-yl]-2-quinolin-4-yloxyethanone
SMILESO=C(COc1ccnc2ccccc12)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C21H20N2O2/c24-21(23-14-6-11-19(23)16-7-2-1-3-8-16)15-25-20-12-13-22-18-10-5-4-9-17(18)20/h1-5,7-10,12-13,19H,6,11,14-15H2/t19-/m1/s1
InChIKeyUAOJJVSHGBDZBD-LJQANCHMSA-N
XLogP3.98
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-quinolin-4-yloxyethanone
CID 141330636
1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone
CID 141217878
3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one
CID 51319060
2-(2-chlorophenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone
CID 86917626
2-(2,4-dibromophenoxy)-1-[(2S)-2-phenylpyrrolidin-1-yl]ethanone
CID 41293959
3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one
CID 141330643
1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 99974769
2-(2-fluorophenoxy)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 124965516
2-(4-nitrophenoxy)-1-[(2S)-2-phenylpyrrolidin-1-yl]ethanone
CID 41293733
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 86951335
1-[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 124980402
1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 125009614

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-phenylpyrrolidin-1-yl]-2-quinolin-4-yloxyethanone?
The IUPAC name of 1-[(2R)-2-phenylpyrrolidin-1-yl]-2-quinolin-4-yloxyethanone (CID 141217853) is 1-[(2R)-2-phenylpyrrolidin-1-yl]-2-quinolin-4-yloxyethanone.
What is the SMILES notation for 1-[(2R)-2-phenylpyrrolidin-1-yl]-2-quinolin-4-yloxyethanone?
The canonical SMILES for 1-[(2R)-2-phenylpyrrolidin-1-yl]-2-quinolin-4-yloxyethanone is O=C(COc1ccnc2ccccc12)N1CCC[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(2R)-2-phenylpyrrolidin-1-yl]-2-quinolin-4-yloxyethanone?
The InChIKey is UAOJJVSHGBDZBD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-21(23-14-6-11-19(23)16-7-2-1-3-8-16)15-25-20-12-13-22-18-10-5-4-9-17(18)20/h1-5,7-10,12-13,19H,6,11,14-15H2/t19-/m1/s1.
What are the key properties of 1-[(2R)-2-phenylpyrrolidin-1-yl]-2-quinolin-4-yloxyethanone?
1-[(2R)-2-phenylpyrrolidin-1-yl]-2-quinolin-4-yloxyethanone has a molecular weight of 332.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-phenylpyrrolidin-1-yl]-2-quinolin-4-yloxyethanone is sourced from PubChem (CID 141217853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).