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

C23H28ClN7O3 — CID 44527454

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

6-[[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]amino]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride (PubChem CID 44527454) has the molecular formula C23H28ClN7O3 and a molecular weight of 485.98 g/mol. Its IUPAC name is 6-[[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]amino]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride.

Molecular Properties

• Compound Name: 6-[[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]amino]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
• PubChem CID: 44527454
• Molecular Formula: C23H28ClN7O3
• Molecular Weight: 485.98 g/mol
• Exact Mass: 485.19
• IUPAC Name: 6-[[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]amino]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
• SMILES: COc1ccc2nccc(N3CCC(NCCNCc4ccc5c(n4)NC(=O)CO5)C3)c2n1.Cl
• InChI: InChI=1S/C23H27N7O3.ClH/c1-32-21-5-3-17-22(29-21)18(6-8-26-17)30-11-7-16(13-30)25-10-9-24-12-15-2-4-19-23(27-15)28-20(31)14-33-19;/h2-6,8,16,24-25H,7,9-14H2,1H3,(H,27,28,31);1H
• InChIKey: NTKAHJAAUXMPJK-UHFFFAOYSA-N
• XLogP: 1.74
• TPSA: 113.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.98
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	3
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-[[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]amino]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride?

The IUPAC name of 6-[[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]amino]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride (CID 44527454) is 6-[[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]amino]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride.

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

The canonical SMILES for 6-[[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]amino]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride is COc1ccc2nccc(N3CCC(NCCNCc4ccc5c(n4)NC(=O)CO5)C3)c2n1.Cl.

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

The InChIKey is NTKAHJAAUXMPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3.ClH/c1-32-21-5-3-17-22(29-21)18(6-8-26-17)30-11-7-16(13-30)25-10-9-24-12-15-2-4-19-23(27-15)28-20(31)14-33-19;/h2-6,8,16,24-25H,7,9-14H2,1H3,(H,27,28,31);1H.

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

6-[[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]amino]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride has a molecular weight of 485.98 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]amino]ethylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride is sourced from PubChem (CID 44527454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).