(2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate

C17H18N2O4 — CID 2646060

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H18N2O4/c20-15-10-13(12-6-2-3-7-14(12)18-15)17(22)23-11-16(21)19-8-4-1-5-9-19/h2-3,6-7,10H,1,4-5,8-9,11H2,(H,18,20)
InChIKeyDBXJYPXLNNTPBJ-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.70
Rot. Bonds3

About (2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2646060) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2646060
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H18N2O4/c20-15-10-13(12-6-2-3-7-14(12)18-15)17(22)23-11-16(21)19-8-4-1-5-9-19/h2-3,6-7,10H,1,4-5,8-9,11H2,(H,18,20)
InChIKeyDBXJYPXLNNTPBJ-UHFFFAOYSA-N
XLogP1.70
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate with MolForge

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Related Compounds

[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 9346091
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 4087645
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 26008623
phenacyl 2-oxo-1H-quinoline-4-carboxylate
CID 684408
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7542193
[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 16529815
ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate
CID 42910473
(2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 895054
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780547
[2-[cyclopentyl(propan-2-yl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 71888056
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761796
[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate (CID 2646060) is (2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate is O=C(OCC(=O)N1CCCCC1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is DBXJYPXLNNTPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-15-10-13(12-6-2-3-7-14(12)18-15)17(22)23-11-16(21)19-8-4-1-5-9-19/h2-3,6-7,10H,1,4-5,8-9,11H2,(H,18,20).
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2646060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).