[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

C22H22N2O4 — CID 7404793

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(OCC(=O)N1CCCc2ccccc21)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H22N2O4/c25-20-8-4-13-23(20)18-11-9-17(10-12-18)22(27)28-15-21(26)24-14-3-6-16-5-1-2-7-19(16)24/h1-2,5,7,9-12H,3-4,6,8,13-15H2
InChIKeyFZHLRIGGSBTPGU-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.95
Rot. Bonds4

About [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 7404793) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID7404793
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(OCC(=O)N1CCCc2ccccc21)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H22N2O4/c25-20-8-4-13-23(20)18-11-9-17(10-12-18)22(27)28-15-21(26)24-14-3-6-16-5-1-2-7-19(16)24/h1-2,5,7,9-12H,3-4,6,8,13-15H2
InChIKeyFZHLRIGGSBTPGU-UHFFFAOYSA-N
XLogP2.95
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate
CID 2361400
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 4783907
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404784
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010543
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952818
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404789
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate
CID 9413223
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-aminobenzoate
CID 7890817
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404923
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 3890210
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (CID 7404793) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is O=C(OCC(=O)N1CCCc2ccccc21)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is FZHLRIGGSBTPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c25-20-8-4-13-23(20)18-11-9-17(10-12-18)22(27)28-15-21(26)24-14-3-6-16-5-1-2-7-19(16)24/h1-2,5,7,9-12H,3-4,6,8,13-15H2.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 378.43 g/mol, XLogP of 2.95, 4 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] 4-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 7404793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).