ethyl 6,7-difluoro-1-(2-fluorophenyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

C19H12F3NO3S — CID 10408122

IUPACethyl 6,7-difluoro-1-(2-fluorophenyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1c2n(c3cc(F)c(F)cc3c1=O)C(c1ccccc1F)S2
InChIInChI=1S/C19H12F3NO3S/c1-2-26-19(25)15-16(24)10-7-12(21)13(22)8-14(10)23-17(27-18(15)23)9-5-3-4-6-11(9)20/h3-8,17H,2H2,1H3
InChIKeyQOKMTNQAWYKAPW-UHFFFAOYSA-N
MW391.37 g/mol
LogP4.25
Rot. Bonds3

About ethyl 6,7-difluoro-1-(2-fluorophenyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

ethyl 6,7-difluoro-1-(2-fluorophenyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate (PubChem CID 10408122) has the molecular formula C19H12F3NO3S and a molecular weight of 391.37 g/mol. Its IUPAC name is ethyl 6,7-difluoro-1-(2-fluorophenyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-difluoro-1-(2-fluorophenyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
PubChem CID10408122
Molecular FormulaC19H12F3NO3S
Molecular Weight391.37 g/mol
Exact Mass391.05
IUPAC Nameethyl 6,7-difluoro-1-(2-fluorophenyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1c2n(c3cc(F)c(F)cc3c1=O)C(c1ccccc1F)S2
InChIInChI=1S/C19H12F3NO3S/c1-2-26-19(25)15-16(24)10-7-12(21)13(22)8-14(10)23-17(27-18(15)23)9-5-3-4-6-11(9)20/h3-8,17H,2H2,1H3
InChIKeyQOKMTNQAWYKAPW-UHFFFAOYSA-N
XLogP4.25
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 6,7-difluoro-1-(2-fluorophenyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-cyclopropyl-6,7-difluoro-2-(methylamino)-4-oxoquinoline-3-carboxylate
CID 139810521
ethyl 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 10431397
ethyl 6-fluoro-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 10249018
ethyl 6-fluoro-4-oxo-7-phenyl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 67880068
ethyl 1-(3,4-difluorophenyl)-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 15132630
ethyl 6-fluoro-1-methyl-4-oxo-7-[4-(2-oxopropyl)piperazin-1-yl]-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 10002979
ethyl (1S)-7-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-1-(fluoromethyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 154481965
ethyl 7-[4-(cyanomethyl)piperazin-1-yl]-6-fluoro-1-methyl-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 14421160
ethyl 8-chloro-7-fluoro-1-methyl-5-oxo-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylate;N-methylmethanamine
CID 70432093
ethyl 7-[4-(3,3-dimethyl-2-oxobutyl)piperazin-1-yl]-6-fluoro-1-methyl-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 14421152
ethyl 7,8-difluoro-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]quinoline-4-carboxylate
CID 643352
ethyl 6,8-difluoro-1-methyl-4-oxo-7-thiomorpholin-4-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 14648337

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-difluoro-1-(2-fluorophenyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate?
The IUPAC name of ethyl 6,7-difluoro-1-(2-fluorophenyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate (CID 10408122) is ethyl 6,7-difluoro-1-(2-fluorophenyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6,7-difluoro-1-(2-fluorophenyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate?
The canonical SMILES for ethyl 6,7-difluoro-1-(2-fluorophenyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate is CCOC(=O)c1c2n(c3cc(F)c(F)cc3c1=O)C(c1ccccc1F)S2.
What is the InChIKey of ethyl 6,7-difluoro-1-(2-fluorophenyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate?
The InChIKey is QOKMTNQAWYKAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3NO3S/c1-2-26-19(25)15-16(24)10-7-12(21)13(22)8-14(10)23-17(27-18(15)23)9-5-3-4-6-11(9)20/h3-8,17H,2H2,1H3.
What are the key properties of ethyl 6,7-difluoro-1-(2-fluorophenyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate?
ethyl 6,7-difluoro-1-(2-fluorophenyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate has a molecular weight of 391.37 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-difluoro-1-(2-fluorophenyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate is sourced from PubChem (CID 10408122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).