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

C25H30N6O3S — CID 69440581

IUPAC6-[[[3-hydroxy-3-(3-methoxyquinoxalin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1cnc2cccc(C(O)CC(NCc3ccc4c(n3)NC(=O)CS4)C3CCCNC3)c2n1
InChIInChI=1S/C25H30N6O3S/c1-34-23-13-28-18-6-2-5-17(24(18)31-23)20(32)10-19(15-4-3-9-26-11-15)27-12-16-7-8-21-25(29-16)30-22(33)14-35-21/h2,5-8,13,15,19-20,26-27,32H,3-4,9-12,14H2,1H3,(H,29,30,33)
InChIKeyJUQUISAGJAXRHY-UHFFFAOYSA-N
MW494.62 g/mol
LogP2.66
Rot. Bonds8

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

6-[[[3-hydroxy-3-(3-methoxyquinoxalin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one (PubChem CID 69440581) has the molecular formula C25H30N6O3S and a molecular weight of 494.62 g/mol. Its IUPAC name is 6-[[[3-hydroxy-3-(3-methoxyquinoxalin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.

Molecular Properties

Compound Name6-[[[3-hydroxy-3-(3-methoxyquinoxalin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
PubChem CID69440581
Molecular FormulaC25H30N6O3S
Molecular Weight494.62 g/mol
Exact Mass494.21
IUPAC Name6-[[[3-hydroxy-3-(3-methoxyquinoxalin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILESCOc1cnc2cccc(C(O)CC(NCc3ccc4c(n3)NC(=O)CS4)C3CCCNC3)c2n1
InChIInChI=1S/C25H30N6O3S/c1-34-23-13-28-18-6-2-5-17(24(18)31-23)20(32)10-19(15-4-3-9-26-11-15)27-12-16-7-8-21-25(29-16)30-22(33)14-35-21/h2,5-8,13,15,19-20,26-27,32H,3-4,9-12,14H2,1H3,(H,29,30,33)
InChIKeyJUQUISAGJAXRHY-UHFFFAOYSA-N
XLogP2.66
TPSA121.29 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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Related Compounds

6-[[[2-(2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl)-1-[(3S)-piperidin-3-yl]ethyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 66970927
6-[[[3-(6-chloro-3-methoxyquinoxalin-5-yl)-3-hydroxy-1-piperidin-3-ylpropyl]amino]methyl]-7-fluoro-4H-1,4-benzothiazin-3-one
CID 69439334
6-[[[3-hydroxy-3-(3-methoxyquinolin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 69432638
6-[[[8-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
CID 45481000
6-[[[(3R,6S)-6-[2-hydroxy-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 69471248
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-[[[3-(3-chloro-6-methoxyquinolin-4-yl)-3-hydroxy-1-piperidin-3-ylpropyl]amino]methyl]-4H-1,4-benzothiazin-3-one
CID 69400957
6-[[[(2R)-4-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 59003262
6-[[[(2S)-4-[(2R)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 59003254
6-[[[4-[[(3-chloro-6-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-4-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 44527659
6-[[[(2R,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 67996109
6-[[[8-[2-(7-chloro-2-methoxyquinolin-8-yl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 58989645

Frequently Asked Questions

What is the IUPAC name of 6-[[[3-hydroxy-3-(3-methoxyquinoxalin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The IUPAC name of 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) is 6-[[[3-hydroxy-3-(3-methoxyquinoxalin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one.
What is the SMILES notation for 6-[[[3-hydroxy-3-(3-methoxyquinoxalin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The canonical SMILES for 6-[[[3-hydroxy-3-(3-methoxyquinoxalin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is COc1cnc2cccc(C(O)CC(NCc3ccc4c(n3)NC(=O)CS4)C3CCCNC3)c2n1.
What is the InChIKey of 6-[[[3-hydroxy-3-(3-methoxyquinoxalin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
The InChIKey is JUQUISAGJAXRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3S/c1-34-23-13-28-18-6-2-5-17(24(18)31-23)20(32)10-19(15-4-3-9-26-11-15)27-12-16-7-8-21-25(29-16)30-22(33)14-35-21/h2,5-8,13,15,19-20,26-27,32H,3-4,9-12,14H2,1H3,(H,29,30,33).
What are the key properties of 6-[[[3-hydroxy-3-(3-methoxyquinoxalin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one?
6-[[[3-hydroxy-3-(3-methoxyquinoxalin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one has a molecular weight of 494.62 g/mol, XLogP of 2.66, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[3-hydroxy-3-(3-methoxyquinoxalin-5-yl)-1-piperidin-3-ylpropyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one is sourced from PubChem (CID 69440581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).