ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate

C13H15NO4 — CID 81108822

IUPACethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate
SMILESCCOC(=O)Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C13H15NO4/c1-2-18-13(17)8-14-10-4-3-5-11(15)9(10)6-7-12(14)16/h6-7H,2-5,8H2,1H3
InChIKeyQXVPYWMIBVATNI-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.93
Rot. Bonds3

About ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate

ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate (PubChem CID 81108822) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate
PubChem CID81108822
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Nameethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate
SMILESCCOC(=O)Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C13H15NO4/c1-2-18-13(17)8-14-10-4-3-5-11(15)9(10)6-7-12(14)16/h6-7H,2-5,8H2,1H3
InChIKeyQXVPYWMIBVATNI-UHFFFAOYSA-N
XLogP0.93
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate?
The IUPAC name of ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate (CID 81108822) is ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate?
The canonical SMILES for ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate is CCOC(=O)Cn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate?
The InChIKey is QXVPYWMIBVATNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-2-18-13(17)8-14-10-4-3-5-11(15)9(10)6-7-12(14)16/h6-7H,2-5,8H2,1H3.
What are the key properties of ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate?
ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate has a molecular weight of 249.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate is sourced from PubChem (CID 81108822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).