1-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]butan-1-one

C18H24N2O2 — CID 87023568

IUPAC1-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H24N2O2/c1-2-7-17(21)19-12-6-11-16(19)18(22)20-13-5-9-14-8-3-4-10-15(14)20/h3-4,8,10,16H,2,5-7,9,11-13H2,1H3
InChIKeyOLYRQVCRQVVZNG-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.76
Rot. Bonds3

About 1-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]butan-1-one

1-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 87023568) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]butan-1-one
PubChem CID87023568
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C18H24N2O2/c1-2-7-17(21)19-12-6-11-16(19)18(22)20-13-5-9-14-8-3-4-10-15(14)20/h3-4,8,10,16H,2,5-7,9,11-13H2,1H3
InChIKeyOLYRQVCRQVVZNG-UHFFFAOYSA-N
XLogP2.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one
CID 113006316
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-butanoylpiperidine-4-carboxylate
CID 86826616
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one
CID 142386717
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 3242452
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 163343391
3,4-dihydro-2H-quinolin-1-yl-(1-propylsulfonylpiperidin-4-yl)methanone
CID 113006349
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 1-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]butan-1-one (CID 87023568) is 1-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]butan-1-one is CCCC(=O)N1CCCC1C(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is OLYRQVCRQVVZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-7-17(21)19-12-6-11-16(19)18(22)20-13-5-9-14-8-3-4-10-15(14)20/h3-4,8,10,16H,2,5-7,9,11-13H2,1H3.
What are the key properties of 1-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]butan-1-one?
1-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 300.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 87023568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).