ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate

C15H15NO4 — CID 63899087

IUPACethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate
SMILESCCOC(=O)CC(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C15H15NO4/c1-2-20-15(19)9-11(17)10-16-8-7-14(18)12-5-3-4-6-13(12)16/h3-8H,2,9-10H2,1H3
InChIKeyQREMIPQMXPCMFY-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.52
Rot. Bonds5

About ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate

ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate (PubChem CID 63899087) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate
PubChem CID63899087
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Nameethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate
SMILESCCOC(=O)CC(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C15H15NO4/c1-2-20-15(19)9-11(17)10-16-8-7-14(18)12-5-3-4-6-13(12)16/h3-8H,2,9-10H2,1H3
InChIKeyQREMIPQMXPCMFY-UHFFFAOYSA-N
XLogP1.52
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-selanylidenequinolin-1-yl)acetate
CID 11109160
1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one
CID 62024225
ethyl 2-(6,7-diethoxy-4-oxoquinolin-1-yl)acetate
CID 50877332
2-(4-oxoquinolin-1-yl)-N-pentylacetamide
CID 47779055
N-methyl-2-(4-oxoquinolin-1-yl)-N-[(2S)-pentan-2-yl]acetamide
CID 94815036
3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide
CID 138002600
ethyl 4-(2,4-dioxopyrimidin-1-yl)-3-oxobutanoate
CID 63898906
N-(2-hydroxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47840872
2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid
CID 119199302
ethyl 2-(3-ethylindol-1-yl)acetate
CID 59177495
1-(2,2-diethoxyethyl)quinolin-4-one
CID 63628929
N-(2,4-dimethylphenyl)-N-ethyl-2-(4-oxoquinolin-1-yl)acetamide
CID 51095480

Frequently Asked Questions

What is the IUPAC name of ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate?
The IUPAC name of ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate (CID 63899087) is ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate.
What is the SMILES notation for ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate?
The canonical SMILES for ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate is CCOC(=O)CC(=O)Cn1ccc(=O)c2ccccc21.
What is the InChIKey of ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate?
The InChIKey is QREMIPQMXPCMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-2-20-15(19)9-11(17)10-16-8-7-14(18)12-5-3-4-6-13(12)16/h3-8H,2,9-10H2,1H3.
What are the key properties of ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate?
ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate has a molecular weight of 273.29 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate is sourced from PubChem (CID 63899087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).