6-[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one

C25H26N4O4S — CID 59626864

IUPAC6-[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one
SMILESCOc1cnc2cccc(OCCN3CCN(C(=O)c4ccc5c(c4)NC(=O)CS5)CC3)c2c1
InChIInChI=1S/C25H26N4O4S/c1-32-18-14-19-20(26-15-18)3-2-4-22(19)33-12-11-28-7-9-29(10-8-28)25(31)17-5-6-23-21(13-17)27-24(30)16-34-23/h2-6,13-15H,7-12,16H2,1H3,(H,27,30)
InChIKeyNXKSRLLBTILLBO-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.12
Rot. Bonds6

About 6-[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one

6-[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one (PubChem CID 59626864) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is 6-[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one
PubChem CID59626864
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC Name6-[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one
SMILESCOc1cnc2cccc(OCCN3CCN(C(=O)c4ccc5c(c4)NC(=O)CS5)CC3)c2c1
InChIInChI=1S/C25H26N4O4S/c1-32-18-14-19-20(26-15-18)3-2-4-22(19)33-12-11-28-7-9-29(10-8-28)25(31)17-5-6-23-21(13-17)27-24(30)16-34-23/h2-6,13-15H,7-12,16H2,1H3,(H,27,30)
InChIKeyNXKSRLLBTILLBO-UHFFFAOYSA-N
XLogP3.12
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-[[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 59626887
(3,4-dimethoxyphenyl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571415
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 33323201
6-(4-propanoyl-1,4-diazepane-1-carbonyl)-4H-1,4-benzothiazin-3-one
CID 110805820
6-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 17424020
3-(3-methoxyquinolin-5-yl)-N-[[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide
CID 66737148
3-(3-methoxyquinolin-5-yl)-N-[[(5R)-2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]methyl]propanamide
CID 66737147
(3,4-dimethoxyphenyl)-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methanone
CID 32577025
N-[1-[3-(7-methoxyquinoxalin-2-yl)oxypropyl]azetidin-3-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 46852072
7-fluoro-6-[[[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 59626865
6-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 42408045
ethane;7-fluoro-6-[[[1-[2-hydroxy-2-(3-methoxyquinolin-5-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 143437106

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one (CID 59626864) is 6-[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one is COc1cnc2cccc(OCCN3CCN(C(=O)c4ccc5c(c4)NC(=O)CS5)CC3)c2c1.
What is the InChIKey of 6-[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one?
The InChIKey is NXKSRLLBTILLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-32-18-14-19-20(26-15-18)3-2-4-22(19)33-12-11-28-7-9-29(10-8-28)25(31)17-5-6-23-21(13-17)27-24(30)16-34-23/h2-6,13-15H,7-12,16H2,1H3,(H,27,30).
What are the key properties of 6-[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one?
6-[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one has a molecular weight of 478.57 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 59626864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).