6-fluoro-1,3-dimethyl-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinolin-4-one

C16H18FN3OS — CID 70992693

IUPAC6-fluoro-1,3-dimethyl-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinolin-4-one
SMILESCc1c2n(c3cc(N4CCNCC4)c(F)cc3c1=O)C(C)S2
InChIInChI=1S/C16H18FN3OS/c1-9-15(21)11-7-12(17)14(19-5-3-18-4-6-19)8-13(11)20-10(2)22-16(9)20/h7-8,10,18H,3-6H2,1-2H3
InChIKeyZSAWSRPHLLTIPR-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.48
Rot. Bonds1

About 6-fluoro-1,3-dimethyl-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinolin-4-one

6-fluoro-1,3-dimethyl-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinolin-4-one (PubChem CID 70992693) has the molecular formula C16H18FN3OS and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-fluoro-1,3-dimethyl-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-1,3-dimethyl-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinolin-4-one
PubChem CID70992693
Molecular FormulaC16H18FN3OS
Molecular Weight319.41 g/mol
Exact Mass319.12
IUPAC Name6-fluoro-1,3-dimethyl-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinolin-4-one
SMILESCc1c2n(c3cc(N4CCNCC4)c(F)cc3c1=O)C(C)S2
InChIInChI=1S/C16H18FN3OS/c1-9-15(21)11-7-12(17)14(19-5-3-18-4-6-19)8-13(11)20-10(2)22-16(9)20/h7-8,10,18H,3-6H2,1-2H3
InChIKeyZSAWSRPHLLTIPR-UHFFFAOYSA-N
XLogP2.48
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-1,3-dimethyl-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl 6-fluoro-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
CID 10249018
(1R)-6-fluoro-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid;2-hydroxypropanoic acid
CID 66922057
6-fluoro-1-(fluoromethyl)-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
CID 10713991
1-(2,5-difluorophenyl)-6-fluoro-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
CID 14421167
6-fluoro-1-methyl-4-oxo-7-(4-prop-2-enylpiperazin-1-yl)-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
CID 10385666
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
9-cyclopropyl-6-fluoro-3-methyl-7-(3-methylpiperazin-1-yl)-4-oxothieno[2,3-b]quinoline-2-carboxamide;9-cyclopropyl-6-fluoro-3-methyl-4-oxo-7-piperazin-1-ylthieno[2,3-b]quinoline-2-carboxamide
CID 123960726
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
9-cyclopropyl-6-fluoro-3-hydroxy-7-piperazin-1-ylthieno[2,3-b]quinolin-4-one
CID 66718445
1-cyclopropyl-6-fluoro-3-(4-methyl-5-sulfanylidenedithiol-3-yl)-7-piperazin-1-ylquinolin-4-one
CID 155815965
6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid;hydrate
CID 175183090
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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,3-dimethyl-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinolin-4-one?
The IUPAC name of 6-fluoro-1,3-dimethyl-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinolin-4-one (CID 70992693) is 6-fluoro-1,3-dimethyl-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinolin-4-one.
What is the SMILES notation for 6-fluoro-1,3-dimethyl-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinolin-4-one?
The canonical SMILES for 6-fluoro-1,3-dimethyl-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinolin-4-one is Cc1c2n(c3cc(N4CCNCC4)c(F)cc3c1=O)C(C)S2.
What is the InChIKey of 6-fluoro-1,3-dimethyl-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinolin-4-one?
The InChIKey is ZSAWSRPHLLTIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3OS/c1-9-15(21)11-7-12(17)14(19-5-3-18-4-6-19)8-13(11)20-10(2)22-16(9)20/h7-8,10,18H,3-6H2,1-2H3.
What are the key properties of 6-fluoro-1,3-dimethyl-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinolin-4-one?
6-fluoro-1,3-dimethyl-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinolin-4-one has a molecular weight of 319.41 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,3-dimethyl-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinolin-4-one is sourced from PubChem (CID 70992693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).