2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one

C18H22N2O2 — CID 124846967

IUPAC2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CC[C@@H](Oc2cccc3cccnc23)C1
InChIInChI=1S/C18H22N2O2/c1-18(2,3)17(21)20-11-9-14(12-20)22-15-8-4-6-13-7-5-10-19-16(13)15/h4-8,10,14H,9,11-12H2,1-3H3/t14-/m1/s1
InChIKeyJTLGIMMFHQVTQX-CQSZACIVSA-N
MW298.39 g/mol
LogP3.26
Rot. Bonds2

About 2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one

2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one (PubChem CID 124846967) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one
PubChem CID124846967
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CC[C@@H](Oc2cccc3cccnc23)C1
InChIInChI=1S/C18H22N2O2/c1-18(2,3)17(21)20-11-9-14(12-20)22-15-8-4-6-13-7-5-10-19-16(13)15/h4-8,10,14H,9,11-12H2,1-3H3/t14-/m1/s1
InChIKeyJTLGIMMFHQVTQX-CQSZACIVSA-N
XLogP3.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide
CID 124863649
[4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157244
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
[4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157245
2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
CID 124760974
[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 124728047
2-(4-propan-2-ylsulfanylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone
CID 91815083
2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 129418309
(2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625334
8-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]oxyquinoline
CID 124760261
furan-3-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625340

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one (CID 124846967) is 2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CC[C@@H](Oc2cccc3cccnc23)C1.
What is the InChIKey of 2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one?
The InChIKey is JTLGIMMFHQVTQX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2,3)17(21)20-11-9-14(12-20)22-15-8-4-6-13-7-5-10-19-16(13)15/h4-8,10,14H,9,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of 2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one?
2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one has a molecular weight of 298.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 124846967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).