1-(2,5-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H30N2O7 — CID 4972805

About 1-(2,5-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(2,5-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4972805) has the molecular formula C27H30N2O7 and a molecular weight of 494.54 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(2,5-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4972805
• Molecular Formula: C27H30N2O7
• Molecular Weight: 494.54 g/mol
• Exact Mass: 494.21
• IUPAC Name: 1-(2,5-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1ccc(OC)c(C2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCCN2CCOCC2)c1
• InChI: InChI=1S/C27H30N2O7/c1-32-17-6-8-21(34-3)20(15-17)24-23-25(30)19-7-5-18(33-2)16-22(19)36-26(23)27(31)29(24)10-4-9-28-11-13-35-14-12-28/h5-8,15-16,24H,4,9-14H2,1-3H3
• InChIKey: QBSDZCRRBHSYAQ-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 90.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.54
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(2,5-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4972805) is 1-(2,5-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(2,5-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(OC)c(C2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CCCN2CCOCC2)c1.

What is the InChIKey of 1-(2,5-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is QBSDZCRRBHSYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O7/c1-32-17-6-8-21(34-3)20(15-17)24-23-25(30)19-7-5-18(33-2)16-22(19)36-26(23)27(31)29(24)10-4-9-28-11-13-35-14-12-28/h5-8,15-16,24H,4,9-14H2,1-3H3.

What are the key properties of 1-(2,5-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(2,5-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 494.54 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,5-dimethoxyphenyl)-6-methoxy-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4972805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).