1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C29H32N2O6 — CID 4705144

About 1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4705144) has the molecular formula C29H32N2O6 and a molecular weight of 504.58 g/mol. Its IUPAC name is 1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4705144
• Molecular Formula: C29H32N2O6
• Molecular Weight: 504.58 g/mol
• Exact Mass: 504.23
• IUPAC Name: 1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: C=CCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1OC
• InChI: InChI=1S/C29H32N2O6/c1-4-14-36-23-9-7-20(18-24(23)34-3)26-25-27(32)21-17-19(2)6-8-22(21)37-28(25)29(33)31(26)11-5-10-30-12-15-35-16-13-30/h4,6-9,17-18,26H,1,5,10-16H2,2-3H3
• InChIKey: FBQZEEHRKPLJOU-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 81.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.58
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4705144) is 1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1OC.

What is the InChIKey of 1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is FBQZEEHRKPLJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O6/c1-4-14-36-23-9-7-20(18-24(23)34-3)26-25-27(32)21-17-19(2)6-8-22(21)37-28(25)29(33)31(26)11-5-10-30-12-15-35-16-13-30/h4,6-9,17-18,26H,1,5,10-16H2,2-3H3.

What are the key properties of 1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 504.58 g/mol, XLogP of 3.94, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-methoxy-4-prop-2-enoxyphenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4705144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).