[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate

C23H24N2O4 — CID 84601874

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OCC(=O)N1CCCc2ccccc21)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C23H24N2O4/c26-21-13-19(15-24(21)14-17-7-2-1-3-8-17)23(28)29-16-22(27)25-12-6-10-18-9-4-5-11-20(18)25/h1-5,7-9,11,19H,6,10,12-16H2
InChIKeyNHABOYYGQREHJY-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.56
Rot. Bonds5

About [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate (PubChem CID 84601874) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
PubChem CID84601874
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
SMILESO=C(OCC(=O)N1CCCc2ccccc21)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C23H24N2O4/c26-21-13-19(15-24(21)14-17-7-2-1-3-8-17)23(28)29-16-22(27)25-12-6-10-18-9-4-5-11-20(18)25/h1-5,7-9,11,19H,6,10,12-16H2
InChIKeyNHABOYYGQREHJY-UHFFFAOYSA-N
XLogP2.56
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate with MolForge

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Related Compounds

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 3252266
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-phenylacetate
CID 55319315
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 139000822
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3R)-1-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxylate
CID 11928955
[2-(4-acetamidoanilino)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 9067828
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
CID 47166895
[2-(4-iodoanilino)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 2397418
[2-(5-bromothiophen-2-yl)-2-oxoethyl] (3S)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 2113605
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-butanoylpiperidine-4-carboxylate
CID 86826616
[2-(4-methylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 3404466
[2-(4-benzoyloxyphenyl)-2-oxoethyl] (3R)-1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 9498360
[2-(4-carbamoylanilino)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 3930218

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate (CID 84601874) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate is O=C(OCC(=O)N1CCCc2ccccc21)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate?
The InChIKey is NHABOYYGQREHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-21-13-19(15-24(21)14-17-7-2-1-3-8-17)23(28)29-16-22(27)25-12-6-10-18-9-4-5-11-20(18)25/h1-5,7-9,11,19H,6,10,12-16H2.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-benzyl-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 84601874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).