ethyl 6-fluoro-8-methoxy-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

C19H22FN3O4S — CID 10001442

IUPACethyl 6-fluoro-8-methoxy-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1c2n(c3c(OC)c(N4CCNCC4)c(F)cc3c1=O)C(C)S2
InChIInChI=1S/C19H22FN3O4S/c1-4-27-19(25)13-16(24)11-9-12(20)15(22-7-5-21-6-8-22)17(26-3)14(11)23-10(2)28-18(13)23/h9-10,21H,4-8H2,1-3H3
InChIKeyGOPLRXFWMPNDFE-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.36
Rot. Bonds4

About ethyl 6-fluoro-8-methoxy-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

ethyl 6-fluoro-8-methoxy-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate (PubChem CID 10001442) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is ethyl 6-fluoro-8-methoxy-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-8-methoxy-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
PubChem CID10001442
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC Nameethyl 6-fluoro-8-methoxy-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1c2n(c3c(OC)c(N4CCNCC4)c(F)cc3c1=O)C(C)S2
InChIInChI=1S/C19H22FN3O4S/c1-4-27-19(25)13-16(24)11-9-12(20)15(22-7-5-21-6-8-22)17(26-3)14(11)23-10(2)28-18(13)23/h9-10,21H,4-8H2,1-3H3
InChIKeyGOPLRXFWMPNDFE-UHFFFAOYSA-N
XLogP2.36
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 6-fluoro-8-methoxy-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate with MolForge

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Related Compounds

ethyl 6,8-difluoro-1-methyl-4-oxo-7-thiomorpholin-4-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 14648337
ethyl 6-fluoro-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 10249018
ethyl 6,8-difluoro-1-methyl-7-morpholin-4-yl-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 14648335
ethyl 7-[3-(dimethylamino)pyrrolidin-1-yl]-6,8-difluoro-1-methyl-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 19890683
ethyl 7-(4,7-diazaspiro[2.5]octan-7-yl)-6,8-difluoro-1-(fluoromethyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 67801716
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 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 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
propyl 6,8-difluoro-1-methyl-4-oxo-7-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidin-1-yl]-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 88501046
ethyl 1-ethyl-6-fluoro-2-methyl-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylate
CID 14664850
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
6-fluoro-1,3-dimethyl-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinolin-4-one
CID 70992693

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-8-methoxy-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-8-methoxy-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate (CID 10001442) is ethyl 6-fluoro-8-methoxy-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-8-methoxy-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-8-methoxy-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate is CCOC(=O)c1c2n(c3c(OC)c(N4CCNCC4)c(F)cc3c1=O)C(C)S2.
What is the InChIKey of ethyl 6-fluoro-8-methoxy-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate?
The InChIKey is GOPLRXFWMPNDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c1-4-27-19(25)13-16(24)11-9-12(20)15(22-7-5-21-6-8-22)17(26-3)14(11)23-10(2)28-18(13)23/h9-10,21H,4-8H2,1-3H3.
What are the key properties of ethyl 6-fluoro-8-methoxy-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate?
ethyl 6-fluoro-8-methoxy-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-8-methoxy-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate is sourced from PubChem (CID 10001442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).