ethyl (1R)-6-amino-7,8-difluoro-1-methyl-5-oxo-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylate

C15H14F2N2O3S — CID 144596859

IUPACethyl (1R)-6-amino-7,8-difluoro-1-methyl-5-oxo-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylate
SMILESCCOC(=O)c1c2n(c3cc(F)c(F)c(N)c3c1=O)[C@H](C)CS2
InChIInChI=1S/C15H14F2N2O3S/c1-3-22-15(21)10-13(20)9-8(4-7(16)11(17)12(9)18)19-6(2)5-23-14(10)19/h4,6H,3,5,18H2,1-2H3/t6-/m1/s1
InChIKeyODMQWMIEYHIUGB-ZCFIWIBFSA-N
MW340.35 g/mol
LogP2.71
Rot. Bonds2

About ethyl (1R)-6-amino-7,8-difluoro-1-methyl-5-oxo-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylate

ethyl (1R)-6-amino-7,8-difluoro-1-methyl-5-oxo-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylate (PubChem CID 144596859) has the molecular formula C15H14F2N2O3S and a molecular weight of 340.35 g/mol. Its IUPAC name is ethyl (1R)-6-amino-7,8-difluoro-1-methyl-5-oxo-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl (1R)-6-amino-7,8-difluoro-1-methyl-5-oxo-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylate
PubChem CID144596859
Molecular FormulaC15H14F2N2O3S
Molecular Weight340.35 g/mol
Exact Mass340.07
IUPAC Nameethyl (1R)-6-amino-7,8-difluoro-1-methyl-5-oxo-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylate
SMILESCCOC(=O)c1c2n(c3cc(F)c(F)c(N)c3c1=O)[C@H](C)CS2
InChIInChI=1S/C15H14F2N2O3S/c1-3-22-15(21)10-13(20)9-8(4-7(16)11(17)12(9)18)19-6(2)5-23-14(10)19/h4,6H,3,5,18H2,1-2H3/t6-/m1/s1
InChIKeyODMQWMIEYHIUGB-ZCFIWIBFSA-N
XLogP2.71
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze ethyl (1R)-6-amino-7,8-difluoro-1-methyl-5-oxo-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

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
amino (1R)-6-amino-7,8,9-trifluoro-1-methyl-5-oxo-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylate
CID 90064416
ethyl 6,7,8-trifluoro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 11723198
6-amino-7,9-difluoro-8-[2-(2-methoxyethoxy)ethylamino]-1-methyl-5-oxo-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylic acid
CID 144596904
ethyl 6-fluoro-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 10249018
ethyl 6,7-difluoro-1-(2-fluorophenyl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 10408122
ethyl 1-cyclopropyl-6,7-difluoro-2-(methylamino)-4-oxoquinoline-3-carboxylate
CID 139810521
ethyl 5,6,7-trifluoro-4-oxo-1-propan-2-ylquinoline-3-carboxylate
CID 167360941
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 5,6,7-trifluoro-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate
CID 167361002
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-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 10431397

Frequently Asked Questions

What is the IUPAC name of ethyl (1R)-6-amino-7,8-difluoro-1-methyl-5-oxo-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylate?
The IUPAC name of ethyl (1R)-6-amino-7,8-difluoro-1-methyl-5-oxo-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylate (CID 144596859) is ethyl (1R)-6-amino-7,8-difluoro-1-methyl-5-oxo-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylate.
What is the SMILES notation for ethyl (1R)-6-amino-7,8-difluoro-1-methyl-5-oxo-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylate?
The canonical SMILES for ethyl (1R)-6-amino-7,8-difluoro-1-methyl-5-oxo-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylate is CCOC(=O)c1c2n(c3cc(F)c(F)c(N)c3c1=O)[C@H](C)CS2.
What is the InChIKey of ethyl (1R)-6-amino-7,8-difluoro-1-methyl-5-oxo-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylate?
The InChIKey is ODMQWMIEYHIUGB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C15H14F2N2O3S/c1-3-22-15(21)10-13(20)9-8(4-7(16)11(17)12(9)18)19-6(2)5-23-14(10)19/h4,6H,3,5,18H2,1-2H3/t6-/m1/s1.
What are the key properties of ethyl (1R)-6-amino-7,8-difluoro-1-methyl-5-oxo-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylate?
ethyl (1R)-6-amino-7,8-difluoro-1-methyl-5-oxo-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylate has a molecular weight of 340.35 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R)-6-amino-7,8-difluoro-1-methyl-5-oxo-1,2-dihydro-[1,3]thiazolo[3,2-a]quinoline-4-carboxylate is sourced from PubChem (CID 144596859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).