5-[[benzyl-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one

C33H34N4O5 — CID 66737443

About 5-[[benzyl-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one

5-[[benzyl-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one (PubChem CID 66737443) has the molecular formula C33H34N4O5 and a molecular weight of 566.66 g/mol. Its IUPAC name is 5-[[benzyl-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 5-[[benzyl-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one
• PubChem CID: 66737443
• Molecular Formula: C33H34N4O5
• Molecular Weight: 566.66 g/mol
• Exact Mass: 566.25
• IUPAC Name: 5-[[benzyl-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one
• SMILES: COc1ccc2nccc(CCCN(Cc3ccccc3)CC3CN(C4=COC=C(C5=CC=CCC5)O4)C(=O)O3)c2n1
• InChI: InChI=1S/C33H34N4O5/c1-39-30-15-14-28-32(35-30)26(16-17-34-28)13-8-18-36(19-24-9-4-2-5-10-24)20-27-21-37(33(38)41-27)31-23-40-22-29(42-31)25-11-6-3-7-12-25/h2-6,9-11,14-17,22-23,27H,7-8,12-13,18-21H2,1H3
• InChIKey: HGKRZDUMGBBGFR-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 86.25 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.66
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[benzyl-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one?

The IUPAC name of 5-[[benzyl-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one (CID 66737443) is 5-[[benzyl-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one.

What is the SMILES notation for 5-[[benzyl-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one?

The canonical SMILES for 5-[[benzyl-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one is COc1ccc2nccc(CCCN(Cc3ccccc3)CC3CN(C4=COC=C(C5=CC=CCC5)O4)C(=O)O3)c2n1.

What is the InChIKey of 5-[[benzyl-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one?

The InChIKey is HGKRZDUMGBBGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O5/c1-39-30-15-14-28-32(35-30)26(16-17-34-28)13-8-18-36(19-24-9-4-2-5-10-24)20-27-21-37(33(38)41-27)31-23-40-22-29(42-31)25-11-6-3-7-12-25/h2-6,9-11,14-17,22-23,27H,7-8,12-13,18-21H2,1H3.

What are the key properties of 5-[[benzyl-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one?

5-[[benzyl-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 566.66 g/mol, XLogP of 5.86, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[benzyl-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 66737443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).