6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride

C24H28Cl2N6OS — CID 44536988

About 6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride

6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride (PubChem CID 44536988) has the molecular formula C24H28Cl2N6OS and a molecular weight of 519.50 g/mol. Its IUPAC name is 6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride.

Molecular Properties

• Compound Name: 6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
• PubChem CID: 44536988
• Molecular Formula: C24H28Cl2N6OS
• Molecular Weight: 519.50 g/mol
• Exact Mass: 518.14
• IUPAC Name: 6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride
• SMILES: Cc1ccc2ncc(Cl)c(CCN3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1.Cl
• InChI: InChI=1S/C24H27ClN6OS.ClH/c1-15-2-4-20-23(28-15)18(19(25)13-27-20)8-11-31-9-6-16(7-10-31)26-12-17-3-5-21-24(29-17)30-22(32)14-33-21;/h2-5,13,16,26H,6-12,14H2,1H3,(H,29,30,32);1H
• InChIKey: QXARZOLRFHQBOR-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 83.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.50
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-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-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride (CID 44536988) is 6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-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-(3-chloro-6-methyl-1,5-naphthyridin-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-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride is Cc1ccc2ncc(Cl)c(CCN3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1.Cl.

What is the InChIKey of 6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride?

The InChIKey is QXARZOLRFHQBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN6OS.ClH/c1-15-2-4-20-23(28-15)18(19(25)13-27-20)8-11-31-9-6-16(7-10-31)26-12-17-3-5-21-24(29-17)30-22(32)14-33-21;/h2-5,13,16,26H,6-12,14H2,1H3,(H,29,30,32);1H.

What are the key properties of 6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride?

6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride has a molecular weight of 519.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[[1-[2-(3-chloro-6-methyl-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;hydrochloride is sourced from PubChem (CID 44536988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).