7-bromo-1-(3,4-diethoxyphenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H22BrNO6 — CID 18820356

About 7-bromo-1-(3,4-diethoxyphenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-1-(3,4-diethoxyphenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18820356) has the molecular formula C26H22BrNO6 and a molecular weight of 524.37 g/mol. Its IUPAC name is 7-bromo-1-(3,4-diethoxyphenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-bromo-1-(3,4-diethoxyphenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18820356
• Molecular Formula: C26H22BrNO6
• Molecular Weight: 524.37 g/mol
• Exact Mass: 523.06
• IUPAC Name: 7-bromo-1-(3,4-diethoxyphenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccco2)cc1OCC
• InChI: InChI=1S/C26H22BrNO6/c1-3-31-20-9-7-15(12-21(20)32-4-2)23-22-24(29)18-13-16(27)8-10-19(18)34-25(22)26(30)28(23)14-17-6-5-11-33-17/h5-13,23H,3-4,14H2,1-2H3
• InChIKey: LLJZRTGARRHZBQ-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 82.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.37
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-(3,4-diethoxyphenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-bromo-1-(3,4-diethoxyphenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18820356) is 7-bromo-1-(3,4-diethoxyphenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-bromo-1-(3,4-diethoxyphenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-bromo-1-(3,4-diethoxyphenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccco2)cc1OCC.

What is the InChIKey of 7-bromo-1-(3,4-diethoxyphenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is LLJZRTGARRHZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22BrNO6/c1-3-31-20-9-7-15(12-21(20)32-4-2)23-22-24(29)18-13-16(27)8-10-19(18)34-25(22)26(30)28(23)14-17-6-5-11-33-17/h5-13,23H,3-4,14H2,1-2H3.

What are the key properties of 7-bromo-1-(3,4-diethoxyphenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-bromo-1-(3,4-diethoxyphenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 524.37 g/mol, XLogP of 5.69, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-1-(3,4-diethoxyphenyl)-2-(furan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18820356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).