6-[[3-[2-(3-fluoro-6-methoxy-3,4-dihydro-1,5-naphthyridin-4-yl)ethylamino]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C22H27FN6O3 — CID 145130087

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

6-[[3-[2-(3-fluoro-6-methoxy-3,4-dihydro-1,5-naphthyridin-4-yl)ethylamino]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 145130087) has the molecular formula C22H27FN6O3 and a molecular weight of 442.50 g/mol. Its IUPAC name is 6-[[3-[2-(3-fluoro-6-methoxy-3,4-dihydro-1,5-naphthyridin-4-yl)ethylamino]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

• Compound Name: 6-[[3-[2-(3-fluoro-6-methoxy-3,4-dihydro-1,5-naphthyridin-4-yl)ethylamino]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• PubChem CID: 145130087
• Molecular Formula: C22H27FN6O3
• Molecular Weight: 442.50 g/mol
• Exact Mass: 442.21
• IUPAC Name: 6-[[3-[2-(3-fluoro-6-methoxy-3,4-dihydro-1,5-naphthyridin-4-yl)ethylamino]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• SMILES: COc1ccc2c(n1)C(CCNCCCNCc1ccc3c(n1)NC(=O)CO3)C(F)C=N2
• InChI: InChI=1S/C22H27FN6O3/c1-31-20-6-4-17-21(29-20)15(16(23)12-26-17)7-10-24-8-2-9-25-11-14-3-5-18-22(27-14)28-19(30)13-32-18/h3-6,12,15-16,24-25H,2,7-11,13H2,1H3,(H,27,28,30)
• InChIKey: YUFOGIFVZCVFQN-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 109.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.50
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-[[3-[2-(3-fluoro-6-methoxy-3,4-dihydro-1,5-naphthyridin-4-yl)ethylamino]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 145130087) is 6-[[3-[2-(3-fluoro-6-methoxy-3,4-dihydro-1,5-naphthyridin-4-yl)ethylamino]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

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

The canonical SMILES for 6-[[3-[2-(3-fluoro-6-methoxy-3,4-dihydro-1,5-naphthyridin-4-yl)ethylamino]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is COc1ccc2c(n1)C(CCNCCCNCc1ccc3c(n1)NC(=O)CO3)C(F)C=N2.

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

The InChIKey is YUFOGIFVZCVFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6O3/c1-31-20-6-4-17-21(29-20)15(16(23)12-26-17)7-10-24-8-2-9-25-11-14-3-5-18-22(27-14)28-19(30)13-32-18/h3-6,12,15-16,24-25H,2,7-11,13H2,1H3,(H,27,28,30).

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

6-[[3-[2-(3-fluoro-6-methoxy-3,4-dihydro-1,5-naphthyridin-4-yl)ethylamino]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 442.50 g/mol, XLogP of 2.11, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[3-[2-(3-fluoro-6-methoxy-3,4-dihydro-1,5-naphthyridin-4-yl)ethylamino]propylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 145130087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).