ethyl 2-fluoro-2-(2-oxoquinolin-1-yl)acetate

C13H12FNO3 — CID 81297624

IUPACethyl 2-fluoro-2-(2-oxoquinolin-1-yl)acetate
SMILESCCOC(=O)C(F)n1c(=O)ccc2ccccc21
InChIInChI=1S/C13H12FNO3/c1-2-18-13(17)12(14)15-10-6-4-3-5-9(10)7-8-11(15)16/h3-8,12H,2H2,1H3
InChIKeyKPNBTMPNSPIDKG-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.03
Rot. Bonds3

About ethyl 2-fluoro-2-(2-oxoquinolin-1-yl)acetate

ethyl 2-fluoro-2-(2-oxoquinolin-1-yl)acetate (PubChem CID 81297624) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(2-oxoquinolin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(2-oxoquinolin-1-yl)acetate
PubChem CID81297624
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Nameethyl 2-fluoro-2-(2-oxoquinolin-1-yl)acetate
SMILESCCOC(=O)C(F)n1c(=O)ccc2ccccc21
InChIInChI=1S/C13H12FNO3/c1-2-18-13(17)12(14)15-10-6-4-3-5-9(10)7-8-11(15)16/h3-8,12H,2H2,1H3
InChIKeyKPNBTMPNSPIDKG-UHFFFAOYSA-N
XLogP2.03
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-fluoro-2-(2-methylindol-1-yl)acetate
CID 81297133
ethyl 1-(difluoromethyl)indole-2-carboxylate
CID 56618852
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ethyl 2-fluoro-2-(6-oxopyridazin-1-yl)acetate
CID 81296975
ethyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-2-fluoroacetate
CID 101045340
ethyl 2-fluoro-2-[2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 142713397
ethyl 2-fluoro-2-(4-phenylpyrazol-1-yl)acetate
CID 81298287
ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate
CID 171240068
(2-oxoquinolin-1-yl) undecanoate
CID 57076345
diethyl 2-[amino-[2-(1-amino-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)phenyl]methyl]propanedioate
CID 54350846
1-(ethylamino)quinolin-2-one
CID 68767328
1-ethylquinolin-2-one;hydrochloride
CID 141095108

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(2-oxoquinolin-1-yl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(2-oxoquinolin-1-yl)acetate (CID 81297624) is ethyl 2-fluoro-2-(2-oxoquinolin-1-yl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(2-oxoquinolin-1-yl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(2-oxoquinolin-1-yl)acetate is CCOC(=O)C(F)n1c(=O)ccc2ccccc21.
What is the InChIKey of ethyl 2-fluoro-2-(2-oxoquinolin-1-yl)acetate?
The InChIKey is KPNBTMPNSPIDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-2-18-13(17)12(14)15-10-6-4-3-5-9(10)7-8-11(15)16/h3-8,12H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(2-oxoquinolin-1-yl)acetate?
ethyl 2-fluoro-2-(2-oxoquinolin-1-yl)acetate has a molecular weight of 249.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(2-oxoquinolin-1-yl)acetate is sourced from PubChem (CID 81297624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).