ethyl 2-oxo-2-(quinolin-8-ylamino)acetate

C13H12N2O3 — CID 10421911

IUPACethyl 2-oxo-2-(quinolin-8-ylamino)acetate
SMILESCCOC(=O)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C13H12N2O3/c1-2-18-13(17)12(16)15-10-7-3-5-9-6-4-8-14-11(9)10/h3-8H,2H2,1H3,(H,15,16)
InChIKeyCIIXOXQEERNNLW-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.74
Rot. Bonds2

About ethyl 2-oxo-2-(quinolin-8-ylamino)acetate

ethyl 2-oxo-2-(quinolin-8-ylamino)acetate (PubChem CID 10421911) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is ethyl 2-oxo-2-(quinolin-8-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(quinolin-8-ylamino)acetate
PubChem CID10421911
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Nameethyl 2-oxo-2-(quinolin-8-ylamino)acetate
SMILESCCOC(=O)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C13H12N2O3/c1-2-18-13(17)12(16)15-10-7-3-5-9-6-4-8-14-11(9)10/h3-8H,2H2,1H3,(H,15,16)
InChIKeyCIIXOXQEERNNLW-UHFFFAOYSA-N
XLogP1.74
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-oxo-2-(2-quinolin-8-ylhydrazinyl)acetate
CID 5202354
ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate
CID 108950376
N-(2-methylpropyl)-N'-quinolin-8-yloxamide
CID 47225581
2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide
CID 109009200
ethyl 2-[3,4-dimethyl-2-(quinolin-8-ylcarbamoyl)phenyl]acetate
CID 177421330
1-propyl-3-quinolin-8-ylurea
CID 13078451
(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
3,4,5-triethoxy-N-quinolin-8-ylbenzamide
CID 1018003
ethyl (3S)-3-phenyl-3-(quinolin-8-ylcarbamoylamino)propanoate
CID 95134563
ethyl (3R)-3-phenyl-3-(quinolin-8-ylcarbamoylamino)propanoate
CID 95288023
N'-pyridin-2-yl-N-quinolin-8-yloxamide
CID 108525948
N-quinolin-8-ylhex-3-enamide
CID 151663814

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(quinolin-8-ylamino)acetate?
The IUPAC name of ethyl 2-oxo-2-(quinolin-8-ylamino)acetate (CID 10421911) is ethyl 2-oxo-2-(quinolin-8-ylamino)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(quinolin-8-ylamino)acetate?
The canonical SMILES for ethyl 2-oxo-2-(quinolin-8-ylamino)acetate is CCOC(=O)C(=O)Nc1cccc2cccnc12.
What is the InChIKey of ethyl 2-oxo-2-(quinolin-8-ylamino)acetate?
The InChIKey is CIIXOXQEERNNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-2-18-13(17)12(16)15-10-7-3-5-9-6-4-8-14-11(9)10/h3-8H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 2-oxo-2-(quinolin-8-ylamino)acetate?
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate has a molecular weight of 244.25 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(quinolin-8-ylamino)acetate is sourced from PubChem (CID 10421911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).