ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate

C17H20N2O3 — CID 913206

IUPACethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(N2CCCCC2)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H20N2O3/c1-2-22-17(21)14-15(19-10-6-3-7-11-19)12-8-4-5-9-13(12)18-16(14)20/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,18,20)
InChIKeyCWORRJDDJDRGOZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.70
Rot. Bonds3

About ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate

ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate (PubChem CID 913206) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate
PubChem CID913206
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Nameethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(N2CCCCC2)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H20N2O3/c1-2-22-17(21)14-15(19-10-6-3-7-11-19)12-8-4-5-9-13(12)18-16(14)20/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,18,20)
InChIKeyCWORRJDDJDRGOZ-UHFFFAOYSA-N
XLogP2.70
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate (CID 913206) is ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate is CCOC(=O)c1c(N2CCCCC2)c2ccccc2[nH]c1=O.
What is the InChIKey of ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate?
The InChIKey is CWORRJDDJDRGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-22-17(21)14-15(19-10-6-3-7-11-19)12-8-4-5-9-13(12)18-16(14)20/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,18,20).
What are the key properties of ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate?
ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate is sourced from PubChem (CID 913206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).