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

C28H37ClN8O2 — CID 44536353

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

6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride (PubChem CID 44536353) has the molecular formula C28H37ClN8O2 and a molecular weight of 553.11 g/mol. Its IUPAC name is 6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride.

Molecular Properties

• Compound Name: 6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
• PubChem CID: 44536353
• Molecular Formula: C28H37ClN8O2
• Molecular Weight: 553.11 g/mol
• Exact Mass: 552.27
• IUPAC Name: 6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
• SMILES: CN1CCN(c2ccc3nccc(CCN4CCC(NCc5ccc6c(n5)NC(=O)CO6)CC4)c3n2)CC1.Cl
• InChI: InChI=1S/C28H36N8O2.ClH/c1-34-14-16-36(17-15-34)25-5-3-23-27(32-25)20(6-10-29-23)7-11-35-12-8-21(9-13-35)30-18-22-2-4-24-28(31-22)33-26(37)19-38-24;/h2-6,10,21,30H,7-9,11-19H2,1H3,(H,31,33,37);1H
• InChIKey: NCIXQOUDUUZHBH-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 98.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.11
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride (CID 44536353) is 6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride.

What is the SMILES notation for 6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?

The canonical SMILES for 6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride is CN1CCN(c2ccc3nccc(CCN4CCC(NCc5ccc6c(n5)NC(=O)CO6)CC4)c3n2)CC1.Cl.

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

The InChIKey is NCIXQOUDUUZHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N8O2.ClH/c1-34-14-16-36(17-15-34)25-5-3-23-27(32-25)20(6-10-29-23)7-11-35-12-8-21(9-13-35)30-18-22-2-4-24-28(31-22)33-26(37)19-38-24;/h2-6,10,21,30H,7-9,11-19H2,1H3,(H,31,33,37);1H.

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

6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride has a molecular weight of 553.11 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride is sourced from PubChem (CID 44536353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).