ethyl 7-acetyl-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylate

C20H15F2NO4 — CID 70395461

IUPACethyl 7-acetyl-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(F)cc2)c2cc(C(C)=O)c(F)cc2c1=O
InChIInChI=1S/C20H15F2NO4/c1-3-27-20(26)16-10-23(13-6-4-12(21)5-7-13)18-9-14(11(2)24)17(22)8-15(18)19(16)25/h4-10H,3H2,1-2H3
InChIKeyBUXWGBGORUOZRQ-UHFFFAOYSA-N
MW371.34 g/mol
LogP3.65
Rot. Bonds4

About ethyl 7-acetyl-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylate

ethyl 7-acetyl-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylate (PubChem CID 70395461) has the molecular formula C20H15F2NO4 and a molecular weight of 371.34 g/mol. Its IUPAC name is ethyl 7-acetyl-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-acetyl-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylate
PubChem CID70395461
Molecular FormulaC20H15F2NO4
Molecular Weight371.34 g/mol
Exact Mass371.10
IUPAC Nameethyl 7-acetyl-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(F)cc2)c2cc(C(C)=O)c(F)cc2c1=O
InChIInChI=1S/C20H15F2NO4/c1-3-27-20(26)16-10-23(13-6-4-12(21)5-7-13)18-9-14(11(2)24)17(22)8-15(18)19(16)25/h4-10H,3H2,1-2H3
InChIKeyBUXWGBGORUOZRQ-UHFFFAOYSA-N
XLogP3.65
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(4-fluorophenyl)-4-oxo-7-(2-trimethylsilylethynyl)quinoline-3-carboxylate
CID 10024380
ethane;ethyl 7-fluoro-4-oxo-6-phosphanyl-1-(4-phosphanyloxyphenyl)quinoline-3-carboxylate
CID 142119745
ethyl 6,7,8-trifluoro-1-(4-methoxyphenyl)-4-oxoquinoline-3-carboxylate
CID 23359023
ethyl 6,7-difluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylate
CID 11823896
ethyl 1-(2,4-difluoro-5-nitrophenyl)-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 15860364
diethyl 2-(3-ethoxycarbonyl-6,8-difluoro-4-oxo-1-phenylquinolin-7-yl)propanedioate
CID 22167213
7-(3-amino-3-methylazetidin-1-yl)-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
CID 10430164
ethyl 1-(4-fluorophenyl)-6-[2-(2-methylpyrimidin-5-yl)ethyl]-4-oxoquinoline-3-carboxylate;ethyl 1-(4-fluorophenyl)-6-[2-(2-methylpyrimidin-5-yl)ethynyl]-4-oxoquinoline-3-carboxylate;molecular hydrogen;phosphane;tritium monohydride
CID 159330472
ethyl 7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6-fluoro-1-(4-methoxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylate
CID 11385492
ethyl 1-(cyclopropylmethyl)-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 783417
ethyl 1-cyclopropyl-6-fluoro-7-(3-hydroxyprop-1-en-2-yl)-4-oxoquinoline-3-carboxylate
CID 11724246
ethyl 1-(4-methoxyphenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylate
CID 11741701

Frequently Asked Questions

What is the IUPAC name of ethyl 7-acetyl-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 7-acetyl-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylate (CID 70395461) is ethyl 7-acetyl-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-acetyl-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 7-acetyl-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(-c2ccc(F)cc2)c2cc(C(C)=O)c(F)cc2c1=O.
What is the InChIKey of ethyl 7-acetyl-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylate?
The InChIKey is BUXWGBGORUOZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO4/c1-3-27-20(26)16-10-23(13-6-4-12(21)5-7-13)18-9-14(11(2)24)17(22)8-15(18)19(16)25/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 7-acetyl-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylate?
ethyl 7-acetyl-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylate has a molecular weight of 371.34 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-acetyl-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 70395461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).