3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-8-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-6-prop-2-enyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C32H35N3O6 — CID 68925590

About 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-8-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-6-prop-2-enyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-8-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-6-prop-2-enyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 68925590) has the molecular formula C32H35N3O6 and a molecular weight of 557.65 g/mol. Its IUPAC name is 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-8-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-6-prop-2-enyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-8-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-6-prop-2-enyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 68925590
• Molecular Formula: C32H35N3O6
• Molecular Weight: 557.65 g/mol
• Exact Mass: 557.25
• IUPAC Name: 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-8-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-6-prop-2-enyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: C=CCC1CN(CC(O)c2ccnc3ccc(OC)cc23)CCC12CN(C1=COC=C(C3=CC=CCC3)O1)C(=O)O2
• InChI: InChI=1S/C32H35N3O6/c1-3-7-23-17-34(18-28(36)25-12-14-33-27-11-10-24(38-2)16-26(25)27)15-13-32(23)21-35(31(37)41-32)30-20-39-19-29(40-30)22-8-5-4-6-9-22/h3-5,8,10-12,14,16,19-20,23,28,36H,1,6-7,9,13,15,17-18,21H2,2H3
• InChIKey: SPHGEHAMDMONOY-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 93.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.65
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-8-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-6-prop-2-enyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-8-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-6-prop-2-enyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 68925590) is 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-8-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-6-prop-2-enyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-8-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-6-prop-2-enyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-8-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-6-prop-2-enyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C=CCC1CN(CC(O)c2ccnc3ccc(OC)cc23)CCC12CN(C1=COC=C(C3=CC=CCC3)O1)C(=O)O2.

What is the InChIKey of 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-8-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-6-prop-2-enyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The InChIKey is SPHGEHAMDMONOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O6/c1-3-7-23-17-34(18-28(36)25-12-14-33-27-11-10-24(38-2)16-26(25)27)15-13-32(23)21-35(31(37)41-32)30-20-39-19-29(40-30)22-8-5-4-6-9-22/h3-5,8,10-12,14,16,19-20,23,28,36H,1,6-7,9,13,15,17-18,21H2,2H3.

What are the key properties of 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-8-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-6-prop-2-enyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-8-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-6-prop-2-enyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 557.65 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-8-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-6-prop-2-enyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 68925590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).