(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[[2-[(9R)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]ethylamino]methyl]-1,3-oxazolidin-2-one

C27H28N4O6 — CID 67223120

About (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[[2-[(9R)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]ethylamino]methyl]-1,3-oxazolidin-2-one

(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[[2-[(9R)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]ethylamino]methyl]-1,3-oxazolidin-2-one (PubChem CID 67223120) has the molecular formula C27H28N4O6 and a molecular weight of 504.54 g/mol. Its IUPAC name is (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[[2-[(9R)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]ethylamino]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[[2-[(9R)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]ethylamino]methyl]-1,3-oxazolidin-2-one
• PubChem CID: 67223120
• Molecular Formula: C27H28N4O6
• Molecular Weight: 504.54 g/mol
• Exact Mass: 504.20
• IUPAC Name: (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[[2-[(9R)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]ethylamino]methyl]-1,3-oxazolidin-2-one
• SMILES: COc1ccc2ncc3c(c2n1)[C@@H](CCNC[C@@H]1CN(C2=COC=C(C4=CC=CCC4)O2)C(=O)O1)CO3
• InChI: InChI=1S/C27H28N4O6/c1-33-23-8-7-20-26(30-23)25-18(14-35-21(25)12-29-20)9-10-28-11-19-13-31(27(32)36-19)24-16-34-15-22(37-24)17-5-3-2-4-6-17/h2-3,5,7-8,12,15-16,18-19,28H,4,6,9-11,13-14H2,1H3/t18-,19+/m0/s1
• InChIKey: PCWDXGNVSRUJDU-RBUKOAKNSA-N
• XLogP: 3.88
• TPSA: 104.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.54
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
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 (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[[2-[(9R)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]ethylamino]methyl]-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[[2-[(9R)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]ethylamino]methyl]-1,3-oxazolidin-2-one (CID 67223120) is (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[[2-[(9R)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]ethylamino]methyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[[2-[(9R)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]ethylamino]methyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[[2-[(9R)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]ethylamino]methyl]-1,3-oxazolidin-2-one is COc1ccc2ncc3c(c2n1)[C@@H](CCNC[C@@H]1CN(C2=COC=C(C4=CC=CCC4)O2)C(=O)O1)CO3.

What is the InChIKey of (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[[2-[(9R)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]ethylamino]methyl]-1,3-oxazolidin-2-one?

The InChIKey is PCWDXGNVSRUJDU-RBUKOAKNSA-N. The full InChI is InChI=1S/C27H28N4O6/c1-33-23-8-7-20-26(30-23)25-18(14-35-21(25)12-29-20)9-10-28-11-19-13-31(27(32)36-19)24-16-34-15-22(37-24)17-5-3-2-4-6-17/h2-3,5,7-8,12,15-16,18-19,28H,4,6,9-11,13-14H2,1H3/t18-,19+/m0/s1.

What are the key properties of (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[[2-[(9R)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]ethylamino]methyl]-1,3-oxazolidin-2-one?

(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[[2-[(9R)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]ethylamino]methyl]-1,3-oxazolidin-2-one has a molecular weight of 504.54 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[[2-[(9R)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]ethylamino]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67223120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).