6-[[2-[4-(7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride

C23H27ClFN7O3 — CID 44528545

About 6-[[2-[4-(7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride

6-[[2-[4-(7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride (PubChem CID 44528545) has the molecular formula C23H27ClFN7O3 and a molecular weight of 503.97 g/mol. Its IUPAC name is 6-[[2-[4-(7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride.

Molecular Properties

• Compound Name: 6-[[2-[4-(7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
• PubChem CID: 44528545
• Molecular Formula: C23H27ClFN7O3
• Molecular Weight: 503.97 g/mol
• Exact Mass: 503.18
• IUPAC Name: 6-[[2-[4-(7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
• SMILES: COc1nc2c(N3CCN(CCNCc4ccc5c(n4)NC(=O)CO5)CC3)ccnc2cc1F.Cl
• InChI: InChI=1S/C23H26FN7O3.ClH/c1-33-23-16(24)12-17-21(29-23)18(4-5-26-17)31-10-8-30(9-11-31)7-6-25-13-15-2-3-19-22(27-15)28-20(32)14-34-19;/h2-5,12,25H,6-11,13-14H2,1H3,(H,27,28,32);1H
• InChIKey: RAUKHSUJLDWQMJ-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 104.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.97
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[4-(7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?

The IUPAC name of 6-[[2-[4-(7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride (CID 44528545) is 6-[[2-[4-(7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride.

What is the SMILES notation for 6-[[2-[4-(7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?

The canonical SMILES for 6-[[2-[4-(7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride is COc1nc2c(N3CCN(CCNCc4ccc5c(n4)NC(=O)CO5)CC3)ccnc2cc1F.Cl.

What is the InChIKey of 6-[[2-[4-(7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?

The InChIKey is RAUKHSUJLDWQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O3.ClH/c1-33-23-16(24)12-17-21(29-23)18(4-5-26-17)31-10-8-30(9-11-31)7-6-25-13-15-2-3-19-22(27-15)28-20(32)14-34-19;/h2-5,12,25H,6-11,13-14H2,1H3,(H,27,28,32);1H.

What are the key properties of 6-[[2-[4-(7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?

6-[[2-[4-(7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride has a molecular weight of 503.97 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-[4-(7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperazin-1-yl]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride is sourced from PubChem (CID 44528545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).