6-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1H-quinolin-4-one

C20H24N4OS — CID 72872414

IUPAC6-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CN3CCN(Cc4csc(C)n4)CC3)cc(=O)c2c1
InChIInChI=1S/C20H24N4OS/c1-14-3-4-19-18(9-14)20(25)10-16(22-19)11-23-5-7-24(8-6-23)12-17-13-26-15(2)21-17/h3-4,9-10,13H,5-8,11-12H2,1-2H3,(H,22,25)
InChIKeyBATHXADLUMKGSJ-UHFFFAOYSA-N
MW368.51 g/mol
LogP2.92
Rot. Bonds4

About 6-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1H-quinolin-4-one

6-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 72872414) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 6-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1H-quinolin-4-one
PubChem CID72872414
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name6-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CN3CCN(Cc4csc(C)n4)CC3)cc(=O)c2c1
InChIInChI=1S/C20H24N4OS/c1-14-3-4-19-18(9-14)20(25)10-16(22-19)11-23-5-7-24(8-6-23)12-17-13-26-15(2)21-17/h3-4,9-10,13H,5-8,11-12H2,1-2H3,(H,22,25)
InChIKeyBATHXADLUMKGSJ-UHFFFAOYSA-N
XLogP2.92
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1H-quinolin-4-one with MolForge

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Related Compounds

6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-4-one
CID 72879344
6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one
CID 72848669
6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 72894201
2-[[(3R,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one
CID 133124192
6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one
CID 97137726
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
(3-methylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 38470610
2-methyl-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 46735539
(3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 124906654
2-[[(4S)-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-6-methyl-1H-quinolin-4-one
CID 97154666
2-[(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6-methyl-1H-quinolin-4-one
CID 72936620

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1H-quinolin-4-one (CID 72872414) is 6-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1H-quinolin-4-one is Cc1ccc2[nH]c(CN3CCN(Cc4csc(C)n4)CC3)cc(=O)c2c1.
What is the InChIKey of 6-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is BATHXADLUMKGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-14-3-4-19-18(9-14)20(25)10-16(22-19)11-23-5-7-24(8-6-23)12-17-13-26-15(2)21-17/h3-4,9-10,13H,5-8,11-12H2,1-2H3,(H,22,25).
What are the key properties of 6-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1H-quinolin-4-one?
6-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 368.51 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72872414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).