2-[(2-chlorophenyl)methyl]-1-(3,4-diethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C29H26ClNO5 — CID 18809899

About 2-[(2-chlorophenyl)methyl]-1-(3,4-diethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[(2-chlorophenyl)methyl]-1-(3,4-diethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18809899) has the molecular formula C29H26ClNO5 and a molecular weight of 503.98 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-1-(3,4-diethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-[(2-chlorophenyl)methyl]-1-(3,4-diethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18809899
• Molecular Formula: C29H26ClNO5
• Molecular Weight: 503.98 g/mol
• Exact Mass: 503.15
• IUPAC Name: 2-[(2-chlorophenyl)methyl]-1-(3,4-diethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2Cl)cc1OCC
• InChI: InChI=1S/C29H26ClNO5/c1-4-34-23-13-11-18(15-24(23)35-5-2)26-25-27(32)20-14-17(3)10-12-22(20)36-28(25)29(33)31(26)16-19-8-6-7-9-21(19)30/h6-15,26H,4-5,16H2,1-3H3
• InChIKey: OUKZFMZAJCBKBS-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 68.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.98
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[(2-chlorophenyl)methyl]-1-(3,4-diethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18809899) is 2-[(2-chlorophenyl)methyl]-1-(3,4-diethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 2-[(2-chlorophenyl)methyl]-1-(3,4-diethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2Cl)cc1OCC.

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

The InChIKey is OUKZFMZAJCBKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClNO5/c1-4-34-23-13-11-18(15-24(23)35-5-2)26-25-27(32)20-14-17(3)10-12-22(20)36-28(25)29(33)31(26)16-19-8-6-7-9-21(19)30/h6-15,26H,4-5,16H2,1-3H3.

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

2-[(2-chlorophenyl)methyl]-1-(3,4-diethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 503.98 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-chlorophenyl)methyl]-1-(3,4-diethoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18809899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).