2-(4-propan-2-ylsulfanylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone

C24H26N2O2S — CID 91815083

IUPAC2-(4-propan-2-ylsulfanylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone
SMILESCC(C)Sc1ccc(CC(=O)N2CCC(Oc3cccc4cccnc34)C2)cc1
InChIInChI=1S/C24H26N2O2S/c1-17(2)29-21-10-8-18(9-11-21)15-23(27)26-14-12-20(16-26)28-22-7-3-5-19-6-4-13-25-24(19)22/h3-11,13,17,20H,12,14-16H2,1-2H3
InChIKeyMXHYUCGNMFWNIV-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.96
Rot. Bonds6

About 2-(4-propan-2-ylsulfanylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone

2-(4-propan-2-ylsulfanylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone (PubChem CID 91815083) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfanylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfanylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone
PubChem CID91815083
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name2-(4-propan-2-ylsulfanylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone
SMILESCC(C)Sc1ccc(CC(=O)N2CCC(Oc3cccc4cccnc34)C2)cc1
InChIInChI=1S/C24H26N2O2S/c1-17(2)29-21-10-8-18(9-11-21)15-23(27)26-14-12-20(16-26)28-22-7-3-5-19-6-4-13-25-24(19)22/h3-11,13,17,20H,12,14-16H2,1-2H3
InChIKeyMXHYUCGNMFWNIV-UHFFFAOYSA-N
XLogP4.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-propan-2-ylsulfanylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone with MolForge

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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-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
CID 124760974
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 119100333
2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one
CID 124846967
(3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide
CID 124863649
2-(4-propan-2-ylsulfanylphenyl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 91815931
3-(4-phenylmethoxyphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)propan-1-one
CID 121157251
[4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157244
2-(6-methyl-3-pyridinyl)-1-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 129475234
[4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157245
1-[(3S)-3-methylsulfonylpyrrolidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 129373830

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone (CID 91815083) is 2-(4-propan-2-ylsulfanylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-propan-2-ylsulfanylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(4-propan-2-ylsulfanylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone is CC(C)Sc1ccc(CC(=O)N2CCC(Oc3cccc4cccnc34)C2)cc1.
What is the InChIKey of 2-(4-propan-2-ylsulfanylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone?
The InChIKey is MXHYUCGNMFWNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-17(2)29-21-10-8-18(9-11-21)15-23(27)26-14-12-20(16-26)28-22-7-3-5-19-6-4-13-25-24(19)22/h3-11,13,17,20H,12,14-16H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylsulfanylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone?
2-(4-propan-2-ylsulfanylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone has a molecular weight of 406.55 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfanylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 91815083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).