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

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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).