2-[3-(diethylamino)propyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C29H36N2O7 — CID 23472606

About 2-[3-(diethylamino)propyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[3-(diethylamino)propyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23472606) has the molecular formula C29H36N2O7 and a molecular weight of 524.61 g/mol. Its IUPAC name is 2-[3-(diethylamino)propyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-[3-(diethylamino)propyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 23472606
• Molecular Formula: C29H36N2O7
• Molecular Weight: 524.61 g/mol
• Exact Mass: 524.25
• IUPAC Name: 2-[3-(diethylamino)propyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(CC)CC)C3c1cc(OC)c(OC)c(OC)c1
• InChI: InChI=1S/C29H36N2O7/c1-7-30(8-2)13-10-14-31-25(18-15-22(34-4)27(36-6)23(16-18)35-5)24-26(32)20-12-11-19(37-9-3)17-21(20)38-28(24)29(31)33/h11-12,15-17,25H,7-10,13-14H2,1-6H3
• InChIKey: APLMHVNBHHOKCE-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 90.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.61
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-[3-(diethylamino)propyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23472606) is 2-[3-(diethylamino)propyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 2-[3-(diethylamino)propyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 2-[3-(diethylamino)propyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(CC)CC)C3c1cc(OC)c(OC)c(OC)c1.

What is the InChIKey of 2-[3-(diethylamino)propyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is APLMHVNBHHOKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O7/c1-7-30(8-2)13-10-14-31-25(18-15-22(34-4)27(36-6)23(16-18)35-5)24-26(32)20-12-11-19(37-9-3)17-21(20)38-28(24)29(31)33/h11-12,15-17,25H,7-10,13-14H2,1-6H3.

What are the key properties of 2-[3-(diethylamino)propyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

2-[3-(diethylamino)propyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 524.61 g/mol, XLogP of 4.49, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(diethylamino)propyl]-6-ethoxy-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23472606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).