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

C26H28N2O6 — CID 2002133

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

(1S)-1-(2,5-dimethoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2002133) has the molecular formula C26H28N2O6 and a molecular weight of 464.52 g/mol. Its IUPAC name is (1S)-1-(2,5-dimethoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: (1S)-1-(2,5-dimethoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 2002133
• Molecular Formula: C26H28N2O6
• Molecular Weight: 464.52 g/mol
• Exact Mass: 464.19
• IUPAC Name: (1S)-1-(2,5-dimethoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1ccc(OC)c([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)c1
• InChI: InChI=1S/C26H28N2O6/c1-31-17-8-9-20(32-2)19(16-17)23-22-24(29)18-6-3-4-7-21(18)34-25(22)26(30)28(23)11-5-10-27-12-14-33-15-13-27/h3-4,6-9,16,23H,5,10-15H2,1-2H3/t23-/m0/s1
• InChIKey: IMGXKPCZEPUHFS-QHCPKHFHSA-N
• XLogP: 3.08
• TPSA: 81.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.52
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (1S)-1-(2,5-dimethoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2002133) is (1S)-1-(2,5-dimethoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for (1S)-1-(2,5-dimethoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(OC)c([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)c1.

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

The InChIKey is IMGXKPCZEPUHFS-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H28N2O6/c1-31-17-8-9-20(32-2)19(16-17)23-22-24(29)18-6-3-4-7-21(18)34-25(22)26(30)28(23)11-5-10-27-12-14-33-15-13-27/h3-4,6-9,16,23H,5,10-15H2,1-2H3/t23-/m0/s1.

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

(1S)-1-(2,5-dimethoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 464.52 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-(2,5-dimethoxyphenyl)-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2002133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).