6-[[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

C24H27N5O3S — CID 59626887

IUPAC6-[[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1cnc2cccc(OCCN3CCN(Cc4ccc5c(n4)NC(=O)CS5)CC3)c2c1
InChIInChI=1S/C24H27N5O3S/c1-31-18-13-19-20(25-14-18)3-2-4-21(19)32-12-11-28-7-9-29(10-8-28)15-17-5-6-22-24(26-17)27-23(30)16-33-22/h2-6,13-14H,7-12,15-16H2,1H3,(H,26,27,30)
InChIKeyPPXXFFAJTWIDFU-UHFFFAOYSA-N
MW465.58 g/mol
LogP2.88
Rot. Bonds7

About 6-[[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-[[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 59626887) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 6-[[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-[[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID59626887
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Name6-[[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1cnc2cccc(OCCN3CCN(Cc4ccc5c(n4)NC(=O)CS5)CC3)c2c1
InChIInChI=1S/C24H27N5O3S/c1-31-18-13-19-20(25-14-18)3-2-4-21(19)32-12-11-28-7-9-29(10-8-28)15-17-5-6-22-24(26-17)27-23(30)16-33-22/h2-6,13-14H,7-12,15-16H2,1H3,(H,26,27,30)
InChIKeyPPXXFFAJTWIDFU-UHFFFAOYSA-N
XLogP2.88
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 59626864
6-[[8-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-oxo-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 11519466
6-[4-[(3S)-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]-3-fluoropiperidin-4-yl]pentyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 163456326
6-[[[(3S,4R)-1-[2-(3-chloro-6-methoxyquinolin-4-yl)ethyl]-3-fluoropiperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;dihydrochloride
CID 68565780
6-[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]iminomethyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 163695141
6-[[2-[4-(6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 11236645
6-[[[1-[2-(3-ethylquinolin-5-yl)propyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 71198205
6-[[2-[4-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-3-oxopiperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 11670504
6-[[[3-fluoro-1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 68566180
6-[[2-[4-(6-methoxy-1,5-naphthyridin-4-yl)-1,4-diazepan-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 44527617
6-[[[1-[2-(3,6-dichloroquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 10348121
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

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 6-[[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (CID 59626887) is 6-[[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-[[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-[[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is COc1cnc2cccc(OCCN3CCN(Cc4ccc5c(n4)NC(=O)CS5)CC3)c2c1.
What is the InChIKey of 6-[[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is PPXXFFAJTWIDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-31-18-13-19-20(25-14-18)3-2-4-21(19)32-12-11-28-7-9-29(10-8-28)15-17-5-6-22-24(26-17)27-23(30)16-33-22/h2-6,13-14H,7-12,15-16H2,1H3,(H,26,27,30).
What are the key properties of 6-[[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-[[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 465.58 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[2-(3-methoxyquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 59626887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).