2-methyl-6-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one

C24H24N4O2S — CID 16622937

IUPAC2-methyl-6-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one
SMILESCC1Sc2ccc(C(=O)N3CCN(Cc4cccc5cccnc45)CC3)cc2NC1=O
InChIInChI=1S/C24H24N4O2S/c1-16-23(29)26-20-14-18(7-8-21(20)31-16)24(30)28-12-10-27(11-13-28)15-19-5-2-4-17-6-3-9-25-22(17)19/h2-9,14,16H,10-13,15H2,1H3,(H,26,29)
InChIKeyYZLNIIHDGASSDF-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.63
Rot. Bonds3

About 2-methyl-6-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one

2-methyl-6-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one (PubChem CID 16622937) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-methyl-6-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one
PubChem CID16622937
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name2-methyl-6-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one
SMILESCC1Sc2ccc(C(=O)N3CCN(Cc4cccc5cccnc45)CC3)cc2NC1=O
InChIInChI=1S/C24H24N4O2S/c1-16-23(29)26-20-14-18(7-8-21(20)31-16)24(30)28-12-10-27(11-13-28)15-19-5-2-4-17-6-3-9-25-22(17)19/h2-9,14,16H,10-13,15H2,1H3,(H,26,29)
InChIKeyYZLNIIHDGASSDF-UHFFFAOYSA-N
XLogP3.63
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-6-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one with MolForge

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Related Compounds

2-methyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 16606409
(2R)-6-(azepane-1-carbonyl)-2-methyl-4H-1,4-benzothiazin-3-one
CID 7779318
(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16609697
7-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 166207806
(4-methyl-3-nitrophenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16962419
(4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623005
(3,5-dimethoxy-4-methylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 55512963
phenyl 4-(2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperazine-1-carboxylate
CID 51122964
(2R)-2-methyl-6-(4-naphthalen-2-ylsulfonylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one
CID 26865911
[4-(cyclopropylamino)-3-nitrophenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16622948
6-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one
CID 16602212
[4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623056

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 2-methyl-6-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one (CID 16622937) is 2-methyl-6-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 2-methyl-6-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one is CC1Sc2ccc(C(=O)N3CCN(Cc4cccc5cccnc45)CC3)cc2NC1=O.
What is the InChIKey of 2-methyl-6-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one?
The InChIKey is YZLNIIHDGASSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-16-23(29)26-20-14-18(7-8-21(20)31-16)24(30)28-12-10-27(11-13-28)15-19-5-2-4-17-6-3-9-25-22(17)19/h2-9,14,16H,10-13,15H2,1H3,(H,26,29).
What are the key properties of 2-methyl-6-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one?
2-methyl-6-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one has a molecular weight of 432.55 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 16622937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).