(2-amino-2-oxoethyl) 2-(2-oxo-1H-quinolin-3-yl)acetate

C13H12N2O4 — CID 70202514

IUPAC(2-amino-2-oxoethyl) 2-(2-oxo-1H-quinolin-3-yl)acetate
SMILESNC(=O)COC(=O)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C13H12N2O4/c14-11(16)7-19-12(17)6-9-5-8-3-1-2-4-10(8)15-13(9)18/h1-5H,6-7H2,(H2,14,16)(H,15,18)
InChIKeyFYIQRNVKZLMVIJ-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.10
Rot. Bonds4

About (2-amino-2-oxoethyl) 2-(2-oxo-1H-quinolin-3-yl)acetate

(2-amino-2-oxoethyl) 2-(2-oxo-1H-quinolin-3-yl)acetate (PubChem CID 70202514) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-(2-oxo-1H-quinolin-3-yl)acetate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-(2-oxo-1H-quinolin-3-yl)acetate
PubChem CID70202514
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name(2-amino-2-oxoethyl) 2-(2-oxo-1H-quinolin-3-yl)acetate
SMILESNC(=O)COC(=O)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C13H12N2O4/c14-11(16)7-19-12(17)6-9-5-8-3-1-2-4-10(8)15-13(9)18/h1-5H,6-7H2,(H2,14,16)(H,15,18)
InChIKeyFYIQRNVKZLMVIJ-UHFFFAOYSA-N
XLogP0.10
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

hexyl 2-(2-oxo-1H-quinolin-3-yl)acetate
CID 102076314
(2-oxo-1H-quinolin-3-yl)methyl pentanoate
CID 17101124
2-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-4-yl]acetamide
CID 56815967
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 942796
2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84631810
(2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate
CID 946725
tert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate
CID 71936523
1-[(2-oxo-1H-quinolin-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 140567613
N-cyclohexyl-N-cyclopropyl-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 56820333
3-[[4-(hydroxymethyl)phenyl]methylsulfinylmethyl]-1H-quinolin-2-one
CID 110005456
N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 945290
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylacetamide
CID 945365

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-(2-oxo-1H-quinolin-3-yl)acetate?
The IUPAC name of (2-amino-2-oxoethyl) 2-(2-oxo-1H-quinolin-3-yl)acetate (CID 70202514) is (2-amino-2-oxoethyl) 2-(2-oxo-1H-quinolin-3-yl)acetate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-(2-oxo-1H-quinolin-3-yl)acetate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-(2-oxo-1H-quinolin-3-yl)acetate is NC(=O)COC(=O)Cc1cc2ccccc2[nH]c1=O.
What is the InChIKey of (2-amino-2-oxoethyl) 2-(2-oxo-1H-quinolin-3-yl)acetate?
The InChIKey is FYIQRNVKZLMVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c14-11(16)7-19-12(17)6-9-5-8-3-1-2-4-10(8)15-13(9)18/h1-5H,6-7H2,(H2,14,16)(H,15,18).
What are the key properties of (2-amino-2-oxoethyl) 2-(2-oxo-1H-quinolin-3-yl)acetate?
(2-amino-2-oxoethyl) 2-(2-oxo-1H-quinolin-3-yl)acetate has a molecular weight of 260.25 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-(2-oxo-1H-quinolin-3-yl)acetate is sourced from PubChem (CID 70202514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).