5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one

C17H22N2O2 — CID 3242452

IUPAC5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C(=O)CCC1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C17H22N2O2/c1-12(2)19-15(9-10-16(19)20)17(21)18-11-5-7-13-6-3-4-8-14(13)18/h3-4,6,8,12,15H,5,7,9-11H2,1-2H3
InChIKeyGWKIRELXPGRALN-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.37
Rot. Bonds2

About 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one

5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 3242452) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID3242452
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C(=O)CCC1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C17H22N2O2/c1-12(2)19-15(9-10-16(19)20)17(21)18-11-5-7-13-6-3-4-8-14(13)18/h3-4,6,8,12,15H,5,7,9-11H2,1-2H3
InChIKeyGWKIRELXPGRALN-UHFFFAOYSA-N
XLogP2.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one
CID 142386717
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
1-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 87023568
(1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 98294897
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 9400843
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 78786405
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
CID 47166895
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 9440585
3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 139695348
3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
3,4-dihydro-2H-quinolin-1-yl(oxan-3-yl)methanone
CID 71879683

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one (CID 3242452) is 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one is CC(C)N1C(=O)CCC1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is GWKIRELXPGRALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(2)19-15(9-10-16(19)20)17(21)18-11-5-7-13-6-3-4-8-14(13)18/h3-4,6,8,12,15H,5,7,9-11H2,1-2H3.
What are the key properties of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 286.37 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 3242452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).