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

C13H14FNO4 — CID 81298681

IUPACethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)n1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C13H14FNO4/c1-2-19-13(18)12(14)15-9-4-3-5-10(16)8(9)6-7-11(15)17/h6-7,12H,2-5H2,1H3
InChIKeyBUMYELZWBZIREJ-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.40
Rot. Bonds3

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

ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetate (PubChem CID 81298681) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetate
PubChem CID81298681
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Nameethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)n1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C13H14FNO4/c1-2-19-13(18)12(14)15-9-4-3-5-10(16)8(9)6-7-11(15)17/h6-7,12H,2-5H2,1H3
InChIKeyBUMYELZWBZIREJ-UHFFFAOYSA-N
XLogP1.40
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2,5-dioxo-4-(trifluoromethyl)-7,8-dihydro-6H-quinolin-1-yl]acetate
CID 2739718
1-[2-(trifluoromethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81108923
1-[2-(2,2,2-trifluoroethoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109373
2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetic acid
CID 81298541
1-Carboxymethyl-7,8-dihydro-2,5(1H,6H)-quinolinedione
CID 19985998
1-Methoxycarbonylmethyl-7,8-dihydro-2,5(1H,6H)-quinolinedione
CID 19986002
1-(2-Methoxy-ethyl)-7,8-dihydro-1H,6H-quinoline-2,5-dione
CID 19986009
tert-butyl 2-(4-methyl-2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate
CID 129084521
ethyl 2-(1-methyl-5-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl)acetate
CID 71697558
1-[2-(3-methylbutoxy)ethyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81104132
1-(2,2-dimethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81104271
1-(2-propan-2-yloxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81104830

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetate (CID 81298681) is ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetate is CCOC(=O)C(F)n1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetate?
The InChIKey is BUMYELZWBZIREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c1-2-19-13(18)12(14)15-9-4-3-5-10(16)8(9)6-7-11(15)17/h6-7,12H,2-5H2,1H3.
What are the key properties of ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetate?
ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-2-fluoroacetate has a molecular weight of 267.26 g/mol, XLogP of 1.40, 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)-2-fluoroacetate is sourced from PubChem (CID 81298681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).