7-chloro-1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H20ClNO5 — CID 18882455

About 7-chloro-1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18882455) has the molecular formula C25H20ClNO5 and a molecular weight of 449.89 g/mol. Its IUPAC name is 7-chloro-1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18882455
• Molecular Formula: C25H20ClNO5
• Molecular Weight: 449.89 g/mol
• Exact Mass: 449.10
• IUPAC Name: 7-chloro-1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCOc1ccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1
• InChI: InChI=1S/C25H20ClNO5/c1-3-30-16-8-6-15(7-9-16)22-21-23(28)18-12-19(26)14(2)11-20(18)32-24(21)25(29)27(22)13-17-5-4-10-31-17/h4-12,22H,3,13H2,1-2H3
• InChIKey: OBABLVMBVZZSJH-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 72.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.89
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-chloro-1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18882455) is 7-chloro-1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-chloro-1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-chloro-1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1.

What is the InChIKey of 7-chloro-1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is OBABLVMBVZZSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO5/c1-3-30-16-8-6-15(7-9-16)22-21-23(28)18-12-19(26)14(2)11-20(18)32-24(21)25(29)27(22)13-17-5-4-10-31-17/h4-12,22H,3,13H2,1-2H3.

What are the key properties of 7-chloro-1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-chloro-1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 449.89 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-(4-ethoxyphenyl)-2-(furan-2-ylmethyl)-6-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18882455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).