2-[3-(diethylamino)propyl]-1-(5-methylfuran-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H26N2O4 — CID 3977855

About 2-[3-(diethylamino)propyl]-1-(5-methylfuran-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[3-(diethylamino)propyl]-1-(5-methylfuran-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3977855) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[3-(diethylamino)propyl]-1-(5-methylfuran-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-[3-(diethylamino)propyl]-1-(5-methylfuran-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 3977855
• Molecular Formula: C23H26N2O4
• Molecular Weight: 394.47 g/mol
• Exact Mass: 394.19
• IUPAC Name: 2-[3-(diethylamino)propyl]-1-(5-methylfuran-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(C)o1
• InChI: InChI=1S/C23H26N2O4/c1-4-24(5-2)13-8-14-25-20(18-12-11-15(3)28-18)19-21(26)16-9-6-7-10-17(16)29-22(19)23(25)27/h6-7,9-12,20H,4-5,8,13-14H2,1-3H3
• InChIKey: ZQDWPGCANGNCOZ-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 66.90 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.47
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-(diethylamino)propyl]-1-(5-methylfuran-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3977855) is 2-[3-(diethylamino)propyl]-1-(5-methylfuran-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 2-[3-(diethylamino)propyl]-1-(5-methylfuran-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(C)o1.

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

The InChIKey is ZQDWPGCANGNCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-4-24(5-2)13-8-14-25-20(18-12-11-15(3)28-18)19-21(26)16-9-6-7-10-17(16)29-22(19)23(25)27/h6-7,9-12,20H,4-5,8,13-14H2,1-3H3.

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

2-[3-(diethylamino)propyl]-1-(5-methylfuran-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 394.47 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(diethylamino)propyl]-1-(5-methylfuran-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3977855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).