ethyl 2-oxo-5,6,7,8-tetrahydro-3H-quinoline-4-carboxylate

C12H15NO3 — CID 90702901

IUPACethyl 2-oxo-5,6,7,8-tetrahydro-3H-quinoline-4-carboxylate
SMILESCCOC(=O)C1=C2CCCCC2=NC(=O)C1
InChIInChI=1S/C12H15NO3/c1-2-16-12(15)9-7-11(14)13-10-6-4-3-5-8(9)10/h2-7H2,1H3
InChIKeyJHGRVKPEHCYMFF-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.79
Rot. Bonds2

About ethyl 2-oxo-5,6,7,8-tetrahydro-3H-quinoline-4-carboxylate

ethyl 2-oxo-5,6,7,8-tetrahydro-3H-quinoline-4-carboxylate (PubChem CID 90702901) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 2-oxo-5,6,7,8-tetrahydro-3H-quinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-5,6,7,8-tetrahydro-3H-quinoline-4-carboxylate
PubChem CID90702901
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl 2-oxo-5,6,7,8-tetrahydro-3H-quinoline-4-carboxylate
SMILESCCOC(=O)C1=C2CCCCC2=NC(=O)C1
InChIInChI=1S/C12H15NO3/c1-2-16-12(15)9-7-11(14)13-10-6-4-3-5-8(9)10/h2-7H2,1H3
InChIKeyJHGRVKPEHCYMFF-UHFFFAOYSA-N
XLogP1.79
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-5,6,7,8-tetrahydro-3H-quinoline-4-carboxylate?
The IUPAC name of ethyl 2-oxo-5,6,7,8-tetrahydro-3H-quinoline-4-carboxylate (CID 90702901) is ethyl 2-oxo-5,6,7,8-tetrahydro-3H-quinoline-4-carboxylate.
What is the SMILES notation for ethyl 2-oxo-5,6,7,8-tetrahydro-3H-quinoline-4-carboxylate?
The canonical SMILES for ethyl 2-oxo-5,6,7,8-tetrahydro-3H-quinoline-4-carboxylate is CCOC(=O)C1=C2CCCCC2=NC(=O)C1.
What is the InChIKey of ethyl 2-oxo-5,6,7,8-tetrahydro-3H-quinoline-4-carboxylate?
The InChIKey is JHGRVKPEHCYMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-16-12(15)9-7-11(14)13-10-6-4-3-5-8(9)10/h2-7H2,1H3.
What are the key properties of ethyl 2-oxo-5,6,7,8-tetrahydro-3H-quinoline-4-carboxylate?
ethyl 2-oxo-5,6,7,8-tetrahydro-3H-quinoline-4-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-5,6,7,8-tetrahydro-3H-quinoline-4-carboxylate is sourced from PubChem (CID 90702901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).