1-(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)-2,3-dihydroquinolin-4-one

C20H24N2O3 — CID 110612523

IUPAC1-(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)C2CC(=O)N(C3CCCCC3)C2)c2ccccc21
InChIInChI=1S/C20H24N2O3/c23-18-10-11-21(17-9-5-4-8-16(17)18)20(25)14-12-19(24)22(13-14)15-6-2-1-3-7-15/h4-5,8-9,14-15H,1-3,6-7,10-13H2
InChIKeyUOHYFLMJVRJWPB-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.79
Rot. Bonds2

About 1-(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)-2,3-dihydroquinolin-4-one

1-(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)-2,3-dihydroquinolin-4-one (PubChem CID 110612523) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)-2,3-dihydroquinolin-4-one
PubChem CID110612523
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)C2CC(=O)N(C3CCCCC3)C2)c2ccccc21
InChIInChI=1S/C20H24N2O3/c23-18-10-11-21(17-9-5-4-8-16(17)18)20(25)14-12-19(24)22(13-14)15-6-2-1-3-7-15/h4-5,8-9,14-15H,1-3,6-7,10-13H2
InChIKeyUOHYFLMJVRJWPB-UHFFFAOYSA-N
XLogP2.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one
CID 97040954
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 27536013
1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 2986614
(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 51565669
1-(cyclobutanecarbonyl)-5-cyclopentyl-3,6-dihydro-2H-1,5-benzodiazocin-4-one
CID 134786724
1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185559
1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 79403206
1-cyclohexyl-4-[(E)-N-hydroxy-C-phenylcarbonimidoyl]pyrrolidin-2-one
CID 51055508
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208
1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17257425
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)-2,3-dihydroquinolin-4-one (CID 110612523) is 1-(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)-2,3-dihydroquinolin-4-one is O=C1CCN(C(=O)C2CC(=O)N(C3CCCCC3)C2)c2ccccc21.
What is the InChIKey of 1-(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)-2,3-dihydroquinolin-4-one?
The InChIKey is UOHYFLMJVRJWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-18-10-11-21(17-9-5-4-8-16(17)18)20(25)14-12-19(24)22(13-14)15-6-2-1-3-7-15/h4-5,8-9,14-15H,1-3,6-7,10-13H2.
What are the key properties of 1-(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)-2,3-dihydroquinolin-4-one?
1-(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)-2,3-dihydroquinolin-4-one has a molecular weight of 340.42 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110612523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).