ethyl 7-(4-acetylpiperazin-1-yl)-6-chloro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate

C19H20ClN3O4S — CID 10002310

IUPACethyl 7-(4-acetylpiperazin-1-yl)-6-chloro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1c2n(c3cc(N4CCN(C(C)=O)CC4)c(Cl)cc3c1=O)CS2
InChIInChI=1S/C19H20ClN3O4S/c1-3-27-19(26)16-17(25)12-8-13(20)15(9-14(12)23-10-28-18(16)23)22-6-4-21(5-7-22)11(2)24/h8-9H,3-7,10H2,1-2H3
InChIKeyRJOBTNHVHKSGSA-UHFFFAOYSA-N
MW421.91 g/mol
LogP2.56
Rot. Bonds3

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

ethyl 7-(4-acetylpiperazin-1-yl)-6-chloro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate (PubChem CID 10002310) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is ethyl 7-(4-acetylpiperazin-1-yl)-6-chloro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-(4-acetylpiperazin-1-yl)-6-chloro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
PubChem CID10002310
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC Nameethyl 7-(4-acetylpiperazin-1-yl)-6-chloro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1c2n(c3cc(N4CCN(C(C)=O)CC4)c(Cl)cc3c1=O)CS2
InChIInChI=1S/C19H20ClN3O4S/c1-3-27-19(26)16-17(25)12-8-13(20)15(9-14(12)23-10-28-18(16)23)22-6-4-21(5-7-22)11(2)24/h8-9H,3-7,10H2,1-2H3
InChIKeyRJOBTNHVHKSGSA-UHFFFAOYSA-N
XLogP2.56
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

ethyl 6-fluoro-4-oxo-7-phenyl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 67880068
ethyl 6,7,8-trifluoro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 11723198
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 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate
CID 141190210
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 6-fluoro-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 10249018
6-chloro-1-ethyl-4-oxo-7-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]quinoline-3-carboxylic acid
CID 13320450
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-chloro-1-ethyl-6-morpholin-4-yl-4-oxoquinoline-3-carboxylate
CID 141190183
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 4-(4-bromo-2-chlorophenyl)piperazine-1-carboxylate
CID 169336537

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(4-acetylpiperazin-1-yl)-6-chloro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate?
The IUPAC name of ethyl 7-(4-acetylpiperazin-1-yl)-6-chloro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate (CID 10002310) is ethyl 7-(4-acetylpiperazin-1-yl)-6-chloro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-(4-acetylpiperazin-1-yl)-6-chloro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-(4-acetylpiperazin-1-yl)-6-chloro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate is CCOC(=O)c1c2n(c3cc(N4CCN(C(C)=O)CC4)c(Cl)cc3c1=O)CS2.
What is the InChIKey of ethyl 7-(4-acetylpiperazin-1-yl)-6-chloro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate?
The InChIKey is RJOBTNHVHKSGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c1-3-27-19(26)16-17(25)12-8-13(20)15(9-14(12)23-10-28-18(16)23)22-6-4-21(5-7-22)11(2)24/h8-9H,3-7,10H2,1-2H3.
What are the key properties of ethyl 7-(4-acetylpiperazin-1-yl)-6-chloro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate?
ethyl 7-(4-acetylpiperazin-1-yl)-6-chloro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate has a molecular weight of 421.91 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(4-acetylpiperazin-1-yl)-6-chloro-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate is sourced from PubChem (CID 10002310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).