1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone

C16H22N2O2 — CID 103728544

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
SMILESCC1(O)CCN(CC(=O)N2CCCc3ccccc32)C1
InChIInChI=1S/C16H22N2O2/c1-16(20)8-10-17(12-16)11-15(19)18-9-4-6-13-5-2-3-7-14(13)18/h2-3,5,7,20H,4,6,8-12H2,1H3
InChIKeyUQQFNFDYSCUPAO-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.42
Rot. Bonds2

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone (PubChem CID 103728544) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
PubChem CID103728544
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
SMILESCC1(O)CCN(CC(=O)N2CCCc3ccccc32)C1
InChIInChI=1S/C16H22N2O2/c1-16(20)8-10-17(12-16)11-15(19)18-9-4-6-13-5-2-3-7-14(13)18/h2-3,5,7,20H,4,6,8-12H2,1H3
InChIKeyUQQFNFDYSCUPAO-UHFFFAOYSA-N
XLogP1.42
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111432104
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119883288
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-hydroxypentyl)piperazin-1-yl]ethanone
CID 111496396
1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]prop-2-en-1-one
CID 166406128
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2701096
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 60645184
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone
CID 56781241
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,2-dimethylpiperazin-1-yl)ethanone
CID 65463000
1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethanone
CID 91833895

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone (CID 103728544) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone is CC1(O)CCN(CC(=O)N2CCCc3ccccc32)C1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone?
The InChIKey is UQQFNFDYSCUPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(20)8-10-17(12-16)11-15(19)18-9-4-6-13-5-2-3-7-14(13)18/h2-3,5,7,20H,4,6,8-12H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone has a molecular weight of 274.36 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 103728544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).