ethyl 2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate

C12H13NO3 — CID 15190849

IUPACethyl 2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate
SMILESCCOC(=O)C1Cc2ccccc2NC1=O
InChIInChI=1S/C12H13NO3/c1-2-16-12(15)9-7-8-5-3-4-6-10(8)13-11(9)14/h3-6,9H,2,7H2,1H3,(H,13,14)
InChIKeyXQLHDHBDHOYWEY-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.36
Rot. Bonds2

About ethyl 2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate

ethyl 2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate (PubChem CID 15190849) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is ethyl 2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate
PubChem CID15190849
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Nameethyl 2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate
SMILESCCOC(=O)C1Cc2ccccc2NC1=O
InChIInChI=1S/C12H13NO3/c1-2-16-12(15)9-7-8-5-3-4-6-10(8)13-11(9)14/h3-6,9H,2,7H2,1H3,(H,13,14)
InChIKeyXQLHDHBDHOYWEY-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate (CID 15190849) is ethyl 2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate is CCOC(=O)C1Cc2ccccc2NC1=O.
What is the InChIKey of ethyl 2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate?
The InChIKey is XQLHDHBDHOYWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-16-12(15)9-7-8-5-3-4-6-10(8)13-11(9)14/h3-6,9H,2,7H2,1H3,(H,13,14).
What are the key properties of ethyl 2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate?
ethyl 2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 15190849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).