6-[[[1-[2-(6-methoxy-3-methylquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride

C26H32ClN5O2S — CID 44527629

IUPAC6-[[[1-[2-(6-methoxy-3-methylquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
SMILESCOc1ccc2ncc(C)c(CCN3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2c1.Cl
InChIInChI=1S/C26H31N5O2S.ClH/c1-17-14-28-23-5-4-20(33-2)13-22(23)21(17)9-12-31-10-7-18(8-11-31)27-15-19-3-6-24-26(29-19)30-25(32)16-34-24;/h3-6,13-14,18,27H,7-12,15-16H2,1-2H3,(H,29,30,32);1H
InChIKeyDNISXQPLYJLDHB-UHFFFAOYSA-N
MW514.10 g/mol
LogP4.21
Rot. Bonds7

About 6-[[[1-[2-(6-methoxy-3-methylquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride

6-[[[1-[2-(6-methoxy-3-methylquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride (PubChem CID 44527629) has the molecular formula C26H32ClN5O2S and a molecular weight of 514.10 g/mol. Its IUPAC name is 6-[[[1-[2-(6-methoxy-3-methylquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride.

Molecular Properties

Compound Name6-[[[1-[2-(6-methoxy-3-methylquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
PubChem CID44527629
Molecular FormulaC26H32ClN5O2S
Molecular Weight514.10 g/mol
Exact Mass513.20
IUPAC Name6-[[[1-[2-(6-methoxy-3-methylquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
SMILESCOc1ccc2ncc(C)c(CCN3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2c1.Cl
InChIInChI=1S/C26H31N5O2S.ClH/c1-17-14-28-23-5-4-20(33-2)13-22(23)21(17)9-12-31-10-7-18(8-11-31)27-15-19-3-6-24-26(29-19)30-25(32)16-34-24;/h3-6,13-14,18,27H,7-12,15-16H2,1-2H3,(H,29,30,32);1H
InChIKeyDNISXQPLYJLDHB-UHFFFAOYSA-N
XLogP4.21
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.10
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[[1-[2-(6-methoxy-3-methylquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-1-(6-Methoxyquinolin-4-yl)-2-{4-[(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-ylmethyl)amino]piperidin-1-yl}ethanol
CID 10204096
6-[[[1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 11362597
6-[[[(3R,6R)-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 69470127
6-[[[(3R,6S)-6-[(1S,2R)-1,2-dihydroxy-2-(6-methoxyquinolin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 73333967
N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]cyclohexane-1-carboxamide
CID 73356818
6-[[[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 145970342
6-[[2-[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]sulfanylethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 44527013
6-[[[4-hydroxy-4-[[(6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 44527053
6-[[[1-[2-(3-chloro-8-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 44527062
7-[[[1-[2-(3-fluoro-6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-1H-pyrido[2,3-b][1,4]thiazin-2-one;hydrochloride
CID 44527374
6-[[[4-hydroxy-4-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]cyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 44527381
6-[[2-[4-hydroxy-1-(6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 44527459

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-(6-methoxy-3-methylquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride?
The IUPAC name of 6-[[[1-[2-(6-methoxy-3-methylquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride (CID 44527629) is 6-[[[1-[2-(6-methoxy-3-methylquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride.
What is the SMILES notation for 6-[[[1-[2-(6-methoxy-3-methylquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride?
The canonical SMILES for 6-[[[1-[2-(6-methoxy-3-methylquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride is COc1ccc2ncc(C)c(CCN3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2c1.Cl.
What is the InChIKey of 6-[[[1-[2-(6-methoxy-3-methylquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride?
The InChIKey is DNISXQPLYJLDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2S.ClH/c1-17-14-28-23-5-4-20(33-2)13-22(23)21(17)9-12-31-10-7-18(8-11-31)27-15-19-3-6-24-26(29-19)30-25(32)16-34-24;/h3-6,13-14,18,27H,7-12,15-16H2,1-2H3,(H,29,30,32);1H.
What are the key properties of 6-[[[1-[2-(6-methoxy-3-methylquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride?
6-[[[1-[2-(6-methoxy-3-methylquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride has a molecular weight of 514.10 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-(6-methoxy-3-methylquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride is sourced from PubChem (CID 44527629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).