ethyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate

C12H15NO3 — CID 70651925

IUPACethyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2c([nH]1)CCCC2
InChIInChI=1S/C12H15NO3/c1-2-16-12(15)10-7-11(14)8-5-3-4-6-9(8)13-10/h7H,2-6H2,1H3,(H,13,14)
InChIKeyVEEVDIPRPRGNKI-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.43
Rot. Bonds2

About ethyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate

ethyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate (PubChem CID 70651925) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate
PubChem CID70651925
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2c([nH]1)CCCC2
InChIInChI=1S/C12H15NO3/c1-2-16-12(15)10-7-11(14)8-5-3-4-6-9(8)13-10/h7H,2-6H2,1H3,(H,13,14)
InChIKeyVEEVDIPRPRGNKI-UHFFFAOYSA-N
XLogP1.43
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate?
The IUPAC name of ethyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate (CID 70651925) is ethyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate.
What is the SMILES notation for ethyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate?
The canonical SMILES for ethyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate is CCOC(=O)c1cc(=O)c2c([nH]1)CCCC2.
What is the InChIKey of ethyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate?
The InChIKey is VEEVDIPRPRGNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-16-12(15)10-7-11(14)8-5-3-4-6-9(8)13-10/h7H,2-6H2,1H3,(H,13,14).
What are the key properties of ethyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate?
ethyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-5,6,7,8-tetrahydro-1H-quinoline-2-carboxylate is sourced from PubChem (CID 70651925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).