6-[[[1-[2-(3-ethylquinolin-5-yl)propyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

C27H33N5OS — CID 71198205

IUPAC6-[[[1-[2-(3-ethylquinolin-5-yl)propyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCCc1cnc2cccc(C(C)CN3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2c1
InChIInChI=1S/C27H33N5OS/c1-3-19-13-23-22(5-4-6-24(23)29-14-19)18(2)16-32-11-9-20(10-12-32)28-15-21-7-8-25-27(30-21)31-26(33)17-34-25/h4-8,13-14,18,20,28H,3,9-12,15-17H2,1-2H3,(H,30,31,33)
InChIKeyONAKUAQLHWUIPY-UHFFFAOYSA-N
MW475.66 g/mol
LogP4.59
Rot. Bonds7

About 6-[[[1-[2-(3-ethylquinolin-5-yl)propyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one

6-[[[1-[2-(3-ethylquinolin-5-yl)propyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 71198205) has the molecular formula C27H33N5OS and a molecular weight of 475.66 g/mol. Its IUPAC name is 6-[[[1-[2-(3-ethylquinolin-5-yl)propyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-[[[1-[2-(3-ethylquinolin-5-yl)propyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID71198205
Molecular FormulaC27H33N5OS
Molecular Weight475.66 g/mol
Exact Mass475.24
IUPAC Name6-[[[1-[2-(3-ethylquinolin-5-yl)propyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCCc1cnc2cccc(C(C)CN3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2c1
InChIInChI=1S/C27H33N5OS/c1-3-19-13-23-22(5-4-6-24(23)29-14-19)18(2)16-32-11-9-20(10-12-32)28-15-21-7-8-25-27(30-21)31-26(33)17-34-25/h4-8,13-14,18,20,28H,3,9-12,15-17H2,1-2H3,(H,30,31,33)
InChIKeyONAKUAQLHWUIPY-UHFFFAOYSA-N
XLogP4.59
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.66
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[[1-[2-(3-ethylquinolin-5-yl)propyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one with MolForge

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Related Compounds

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
6-[(cyclohexylamino)methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;quinolin-4-ylcarbamic acid
CID 68890003
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
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
7-fluoro-9-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]piperidin-1-yl]methyl]-3-thia-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one
CID 25073700
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
7-[[[1-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-1H-pyrido[3,4-b][1,4]thiazin-2-one
CID 10277506
N-isoquinolin-5-yl-4-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]cyclohexane-1-carboxamide
CID 10026643
6-[[[1-[[(3R)-11-hydroxy-5-oxo-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-trien-3-yl]methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 139502683
6-[[[(3R,4S)-3-fluoro-1-[(2R)-2-hydroxy-2-(2-methoxyquinolin-8-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;dihydrochloride
CID 69058901
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-[[[3-hydroxy-3-(3-methoxyquinoxalin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 69440581

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-(3-ethylquinolin-5-yl)propyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 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) is 6-[[[1-[2-(3-ethylquinolin-5-yl)propyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-[[[1-[2-(3-ethylquinolin-5-yl)propyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-[[[1-[2-(3-ethylquinolin-5-yl)propyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is CCc1cnc2cccc(C(C)CN3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2c1.
What is the InChIKey of 6-[[[1-[2-(3-ethylquinolin-5-yl)propyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is ONAKUAQLHWUIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5OS/c1-3-19-13-23-22(5-4-6-24(23)29-14-19)18(2)16-32-11-9-20(10-12-32)28-15-21-7-8-25-27(30-21)31-26(33)17-34-25/h4-8,13-14,18,20,28H,3,9-12,15-17H2,1-2H3,(H,30,31,33).
What are the key properties of 6-[[[1-[2-(3-ethylquinolin-5-yl)propyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-[[[1-[2-(3-ethylquinolin-5-yl)propyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 475.66 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[1-[2-(3-ethylquinolin-5-yl)propyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 71198205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).