7-ethyl-2-(3-morpholin-4-ylpropyl)-1-(2,3,4-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C29H34N2O7 — CID 23472938

About 7-ethyl-2-(3-morpholin-4-ylpropyl)-1-(2,3,4-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-ethyl-2-(3-morpholin-4-ylpropyl)-1-(2,3,4-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23472938) has the molecular formula C29H34N2O7 and a molecular weight of 522.60 g/mol. Its IUPAC name is 7-ethyl-2-(3-morpholin-4-ylpropyl)-1-(2,3,4-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-ethyl-2-(3-morpholin-4-ylpropyl)-1-(2,3,4-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 23472938
• Molecular Formula: C29H34N2O7
• Molecular Weight: 522.60 g/mol
• Exact Mass: 522.24
• IUPAC Name: 7-ethyl-2-(3-morpholin-4-ylpropyl)-1-(2,3,4-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCc1ccc2oc3c(c(=O)c2c1)C(c1ccc(OC)c(OC)c1OC)N(CCCN1CCOCC1)C3=O
• InChI: InChI=1S/C29H34N2O7/c1-5-18-7-9-21-20(17-18)25(32)23-24(19-8-10-22(34-2)27(36-4)26(19)35-3)31(29(33)28(23)38-21)12-6-11-30-13-15-37-16-14-30/h7-10,17,24H,5-6,11-16H2,1-4H3
• InChIKey: SUGDJWJRHUFUCZ-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 90.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.60
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 7-ethyl-2-(3-morpholin-4-ylpropyl)-1-(2,3,4-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23472938) is 7-ethyl-2-(3-morpholin-4-ylpropyl)-1-(2,3,4-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-ethyl-2-(3-morpholin-4-ylpropyl)-1-(2,3,4-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc2oc3c(c(=O)c2c1)C(c1ccc(OC)c(OC)c1OC)N(CCCN1CCOCC1)C3=O.

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

The InChIKey is SUGDJWJRHUFUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O7/c1-5-18-7-9-21-20(17-18)25(32)23-24(19-8-10-22(34-2)27(36-4)26(19)35-3)31(29(33)28(23)38-21)12-6-11-30-13-15-37-16-14-30/h7-10,17,24H,5-6,11-16H2,1-4H3.

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

7-ethyl-2-(3-morpholin-4-ylpropyl)-1-(2,3,4-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 522.60 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-ethyl-2-(3-morpholin-4-ylpropyl)-1-(2,3,4-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23472938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).