[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

C18H20N2O4 — CID 2587843

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCC1CCN(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)CC1
InChIInChI=1S/C18H20N2O4/c1-12-6-8-20(9-7-12)17(22)11-24-18(23)14-10-16(21)19-15-5-3-2-4-13(14)15/h2-5,10,12H,6-9,11H2,1H3,(H,19,21)
InChIKeyMGNWCPCRCQZKDI-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.94
Rot. Bonds3

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2587843) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2587843
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCC1CCN(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)CC1
InChIInChI=1S/C18H20N2O4/c1-12-6-8-20(9-7-12)17(22)11-24-18(23)14-10-16(21)19-15-5-3-2-4-13(14)15/h2-5,10,12H,6-9,11H2,1H3,(H,19,21)
InChIKeyMGNWCPCRCQZKDI-UHFFFAOYSA-N
XLogP1.94
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate with MolForge

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Related Compounds

4-Ethoxycarbonyl-2-quinolone
CID 160782
1-Isobutyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 182588
1-Butyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 19793437
2-Oxo-1-propyl-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44340023
1-Isopropyl-2-oxo-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44340030
2-Oxo-1-pentyl-1,2-dihydro-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44340205
4-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-, methyl ester
CID 181636
2-Oxo-2-phenylethyl 2-hydroxyquinoline-4-carboxylate
CID 684408
2-(4-Methylphenyl)-2-oxoethyl 2-hydroxy-4-quinolinecarboxylate
CID 955509
[2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2358098
[2-(4-Morpholin-4-ylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2371360
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 2388958

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 2587843) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is CC1CCN(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is MGNWCPCRCQZKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-6-8-20(9-7-12)17(22)11-24-18(23)14-10-16(21)19-15-5-3-2-4-13(14)15/h2-5,10,12H,6-9,11H2,1H3,(H,19,21).
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2587843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).