ethyl 3-oxo-3-quinolin-3-ylpropanoate

C14H13NO3 — CID 22925293

IUPACethyl 3-oxo-3-quinolin-3-ylpropanoate
SMILESCCOC(=O)CC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C14H13NO3/c1-2-18-14(17)8-13(16)11-7-10-5-3-4-6-12(10)15-9-11/h3-7,9H,2,8H2,1H3
InChIKeyHULVYXANDFIJKI-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.37
Rot. Bonds4

About ethyl 3-oxo-3-quinolin-3-ylpropanoate

ethyl 3-oxo-3-quinolin-3-ylpropanoate (PubChem CID 22925293) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is ethyl 3-oxo-3-quinolin-3-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-oxo-3-quinolin-3-ylpropanoate
PubChem CID22925293
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Nameethyl 3-oxo-3-quinolin-3-ylpropanoate
SMILESCCOC(=O)CC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C14H13NO3/c1-2-18-14(17)8-13(16)11-7-10-5-3-4-6-12(10)15-9-11/h3-7,9H,2,8H2,1H3
InChIKeyHULVYXANDFIJKI-UHFFFAOYSA-N
XLogP2.37
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[benzyl(quinoline-3-carbonyl)amino]acetate
CID 165352865
ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
CID 34177500
2-amino-2-methyl-1-quinolin-3-ylpentan-1-one
CID 116556948
3,3-dimethyl-1-quinolin-3-ylbutan-1-one
CID 63892352
1-quinolin-3-yloctan-1-one
CID 114963108
butyl quinoline-3-carboxylate
CID 54753708
CID 6332799
CID 6332799
quinoline-3-carboxamide;hydrofluoride
CID 174911514
ethyl 3-(5-bromo-3-pyridinyl)-3-oxopropanoate
CID 2763056
ethyl 3-(5-methyl-3-pyridinyl)-3-oxopropanoate
CID 142316844
methyl 3-(6-methoxyquinolin-3-yl)-3-oxopropanoate
CID 82665608
N-(2-methoxyethyl)quinoline-3-carboxamide
CID 110694742

Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-3-quinolin-3-ylpropanoate?
The IUPAC name of ethyl 3-oxo-3-quinolin-3-ylpropanoate (CID 22925293) is ethyl 3-oxo-3-quinolin-3-ylpropanoate.
What is the SMILES notation for ethyl 3-oxo-3-quinolin-3-ylpropanoate?
The canonical SMILES for ethyl 3-oxo-3-quinolin-3-ylpropanoate is CCOC(=O)CC(=O)c1cnc2ccccc2c1.
What is the InChIKey of ethyl 3-oxo-3-quinolin-3-ylpropanoate?
The InChIKey is HULVYXANDFIJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-2-18-14(17)8-13(16)11-7-10-5-3-4-6-12(10)15-9-11/h3-7,9H,2,8H2,1H3.
What are the key properties of ethyl 3-oxo-3-quinolin-3-ylpropanoate?
ethyl 3-oxo-3-quinolin-3-ylpropanoate has a molecular weight of 243.26 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-3-quinolin-3-ylpropanoate is sourced from PubChem (CID 22925293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).