1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone

C15H16N2O — CID 124500175

IUPAC1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1c1cnc2ccccc2c1
InChIInChI=1S/C15H16N2O/c1-11(18)17-8-4-7-15(17)13-9-12-5-2-3-6-14(12)16-10-13/h2-3,5-6,9-10,15H,4,7-8H2,1H3/t15-/m0/s1
InChIKeyFWBBQYJGQHCVEZ-HNNXBMFYSA-N
MW240.31 g/mol
LogP2.92
Rot. Bonds1

About 1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone

1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone (PubChem CID 124500175) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone
PubChem CID124500175
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1c1cnc2ccccc2c1
InChIInChI=1S/C15H16N2O/c1-11(18)17-8-4-7-15(17)13-9-12-5-2-3-6-14(12)16-10-13/h2-3,5-6,9-10,15H,4,7-8H2,1H3/t15-/m0/s1
InChIKeyFWBBQYJGQHCVEZ-HNNXBMFYSA-N
XLogP2.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-quinolin-3-ylpyrrolidin-1-yl)prop-2-en-1-one
CID 51346071
phenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone
CID 124500188
3-[(2R)-1-propan-2-ylpyrrolidin-2-yl]quinoline
CID 124500180
3-(1-butylpyrrolidin-2-yl)quinoline
CID 102543349
3-[(2R)-1-butylpyrrolidin-2-yl]quinoline
CID 124500186
1-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 53003193
1-[(2S)-2-[1-(cyclohexylmethyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 97259770
2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 26864495
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
1-[2-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 46264733
1-[(2R)-2-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92735897
1-[(2R)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 40773764

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone (CID 124500175) is 1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@H]1c1cnc2ccccc2c1.
What is the InChIKey of 1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone?
The InChIKey is FWBBQYJGQHCVEZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11(18)17-8-4-7-15(17)13-9-12-5-2-3-6-14(12)16-10-13/h2-3,5-6,9-10,15H,4,7-8H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone?
1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone has a molecular weight of 240.31 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-quinolin-3-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124500175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).