(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate

C20H18N2O4 — CID 2089799

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C(OCC(=O)N1CCCC1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C20H18N2O4/c23-19(22-9-3-4-10-22)13-26-20(24)15-12-17(18-8-5-11-25-18)21-16-7-2-1-6-14(15)16/h1-2,5-8,11-12H,3-4,9-10,13H2
InChIKeyONMPZWSSKAQCTH-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.27
Rot. Bonds4

About (2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate

(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 2089799) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID2089799
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C(OCC(=O)N1CCCC1)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C20H18N2O4/c23-19(22-9-3-4-10-22)13-26-20(24)15-12-17(18-8-5-11-25-18)21-16-7-2-1-6-14(15)16/h1-2,5-8,11-12H,3-4,9-10,13H2
InChIKeyONMPZWSSKAQCTH-UHFFFAOYSA-N
XLogP3.27
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2693380
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 8651884
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2479385
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780547
(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2353514
(1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825277
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 9330812
[2-(2-chloroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2337988
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825266
(2-morpholin-4-yl-2-oxoethyl) 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3501639
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2121133
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2479738

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate (CID 2089799) is (2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate is O=C(OCC(=O)N1CCCC1)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is ONMPZWSSKAQCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-19(22-9-3-4-10-22)13-26-20(24)15-12-17(18-8-5-11-25-18)21-16-7-2-1-6-14(15)16/h1-2,5-8,11-12H,3-4,9-10,13H2.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate?
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 2089799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).