7-chloro-1-(4-hexoxy-3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

C24H24ClNO5 — CID 19130513

About 7-chloro-1-(4-hexoxy-3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-(4-hexoxy-3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19130513) has the molecular formula C24H24ClNO5 and a molecular weight of 441.91 g/mol. Its IUPAC name is 7-chloro-1-(4-hexoxy-3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-1-(4-hexoxy-3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 19130513
• Molecular Formula: C24H24ClNO5
• Molecular Weight: 441.91 g/mol
• Exact Mass: 441.13
• IUPAC Name: 7-chloro-1-(4-hexoxy-3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCCCCCOc1ccc(C2NC(=O)c3oc4ccc(Cl)cc4c(=O)c32)cc1OC
• InChI: InChI=1S/C24H24ClNO5/c1-3-4-5-6-11-30-18-9-7-14(12-19(18)29-2)21-20-22(27)16-13-15(25)8-10-17(16)31-23(20)24(28)26-21/h7-10,12-13,21H,3-6,11H2,1-2H3,(H,26,28)
• InChIKey: ZDRHSFWQBJJMHW-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 77.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.91
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4-hexoxy-3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-chloro-1-(4-hexoxy-3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione (CID 19130513) is 7-chloro-1-(4-hexoxy-3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-chloro-1-(4-hexoxy-3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-chloro-1-(4-hexoxy-3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is CCCCCCOc1ccc(C2NC(=O)c3oc4ccc(Cl)cc4c(=O)c32)cc1OC.

What is the InChIKey of 7-chloro-1-(4-hexoxy-3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is ZDRHSFWQBJJMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO5/c1-3-4-5-6-11-30-18-9-7-14(12-19(18)29-2)21-20-22(27)16-13-15(25)8-10-17(16)31-23(20)24(28)26-21/h7-10,12-13,21H,3-6,11H2,1-2H3,(H,26,28).

What are the key properties of 7-chloro-1-(4-hexoxy-3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione?

7-chloro-1-(4-hexoxy-3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 441.91 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-(4-hexoxy-3-methoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19130513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).