2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone

C20H19N3O2 — CID 124760974

IUPAC2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
SMILESO=C(Cc1cccnc1)N1CC[C@H](Oc2cccc3cccnc23)C1
InChIInChI=1S/C20H19N3O2/c24-19(12-15-4-2-9-21-13-15)23-11-8-17(14-23)25-18-7-1-5-16-6-3-10-22-20(16)18/h1-7,9-10,13,17H,8,11-12,14H2/t17-/m0/s1
InChIKeySUUZULLNGTUYFZ-KRWDZBQOSA-N
MW333.39 g/mol
LogP2.85
Rot. Bonds4

About 2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone

2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone (PubChem CID 124760974) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
PubChem CID124760974
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
SMILESO=C(Cc1cccnc1)N1CC[C@H](Oc2cccc3cccnc23)C1
InChIInChI=1S/C20H19N3O2/c24-19(12-15-4-2-9-21-13-15)23-11-8-17(14-23)25-18-7-1-5-16-6-3-10-22-20(16)18/h1-7,9-10,13,17H,8,11-12,14H2/t17-/m0/s1
InChIKeySUUZULLNGTUYFZ-KRWDZBQOSA-N
XLogP2.85
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-propan-2-ylsulfanylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone
CID 91815083
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 121017510
1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 100753789
(3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide
CID 124863649
2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one
CID 124846967
3-(4-phenylmethoxyphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)propan-1-one
CID 121157251
(3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157254
3-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626818
[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 124728047
2-(6-methyl-3-pyridinyl)-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129475234

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone (CID 124760974) is 2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone is O=C(Cc1cccnc1)N1CC[C@H](Oc2cccc3cccnc23)C1.
What is the InChIKey of 2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone?
The InChIKey is SUUZULLNGTUYFZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-19(12-15-4-2-9-21-13-15)23-11-8-17(14-23)25-18-7-1-5-16-6-3-10-22-20(16)18/h1-7,9-10,13,17H,8,11-12,14H2/t17-/m0/s1.
What are the key properties of 2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone?
2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone has a molecular weight of 333.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124760974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).