ethyl 6,7-difluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylate

C15H10F2N2O3S — CID 11823896

IUPACethyl 6,7-difluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cn(-c2nccs2)c2cc(F)c(F)cc2c1=O
InChIInChI=1S/C15H10F2N2O3S/c1-2-22-14(21)9-7-19(15-18-3-4-23-15)12-6-11(17)10(16)5-8(12)13(9)20/h3-7H,2H2,1H3
InChIKeyLGFIJKBKZJUTMT-UHFFFAOYSA-N
MW336.32 g/mol
LogP2.90
Rot. Bonds3

About ethyl 6,7-difluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylate

ethyl 6,7-difluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylate (PubChem CID 11823896) has the molecular formula C15H10F2N2O3S and a molecular weight of 336.32 g/mol. Its IUPAC name is ethyl 6,7-difluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-difluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylate
PubChem CID11823896
Molecular FormulaC15H10F2N2O3S
Molecular Weight336.32 g/mol
Exact Mass336.04
IUPAC Nameethyl 6,7-difluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cn(-c2nccs2)c2cc(F)c(F)cc2c1=O
InChIInChI=1S/C15H10F2N2O3S/c1-2-22-14(21)9-7-19(15-18-3-4-23-15)12-6-11(17)10(16)5-8(12)13(9)20/h3-7H,2H2,1H3
InChIKeyLGFIJKBKZJUTMT-UHFFFAOYSA-N
XLogP2.90
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 7-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate
CID 91367850
ethyl 2-methylsulfanyl-5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylate
CID 11002551
ethyl 7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate
CID 10972101
ethyl 1-(2,4-difluoro-5-nitrophenyl)-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 15860364
ethyl 1-(cyclopropylmethyl)-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 783417
6,7,8-trifluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylic acid
CID 11823570
ethyl 7-chloro-5-(hydroxyamino)-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate
CID 142435577
ethyl 7-acetyl-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylate
CID 70395461
ethyl 6-ethoxy-1-ethyl-7-fluoro-4-oxoquinoline-3-carboxylate
CID 744481
ethyl 7-[(3R,4S)-3-methoxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate
CID 139741177
ethyl 6-chloro-1-(5,7-dihydrofuro[3,4-b]pyrazin-3-yl)-7-fluoro-4-oxoquinoline-3-carboxylate
CID 156848080
ethane;ethyl 7-fluoro-4-oxo-6-phosphanyl-1-(4-phosphanyloxyphenyl)quinoline-3-carboxylate
CID 142119745

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-difluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylate?
The IUPAC name of ethyl 6,7-difluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylate (CID 11823896) is ethyl 6,7-difluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6,7-difluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6,7-difluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylate is CCOC(=O)c1cn(-c2nccs2)c2cc(F)c(F)cc2c1=O.
What is the InChIKey of ethyl 6,7-difluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylate?
The InChIKey is LGFIJKBKZJUTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O3S/c1-2-22-14(21)9-7-19(15-18-3-4-23-15)12-6-11(17)10(16)5-8(12)13(9)20/h3-7H,2H2,1H3.
What are the key properties of ethyl 6,7-difluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylate?
ethyl 6,7-difluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylate has a molecular weight of 336.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-difluoro-4-oxo-1-(1,3-thiazol-2-yl)quinoline-3-carboxylate is sourced from PubChem (CID 11823896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).