7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H21ClN2O5 — CID 4709160

About 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4709160) has the molecular formula C26H21ClN2O5 and a molecular weight of 476.92 g/mol. Its IUPAC name is 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4709160
• Molecular Formula: C26H21ClN2O5
• Molecular Weight: 476.92 g/mol
• Exact Mass: 476.11
• IUPAC Name: 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCOc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1OC
• InChI: InChI=1S/C26H21ClN2O5/c1-4-33-19-8-6-15(11-20(19)32-3)23-22-24(30)17-12-16(27)7-9-18(17)34-25(22)26(31)29(23)21-10-5-14(2)13-28-21/h5-13,23H,4H2,1-3H3
• InChIKey: SIDURPAEVHSEIE-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 81.87 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.92
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4709160) is 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1OC.

What is the InChIKey of 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is SIDURPAEVHSEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O5/c1-4-33-19-8-6-15(11-20(19)32-3)23-22-24(30)17-12-16(27)7-9-18(17)34-25(22)26(31)29(23)21-10-5-14(2)13-28-21/h5-13,23H,4H2,1-3H3.

What are the key properties of 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 476.92 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-(4-ethoxy-3-methoxyphenyl)-2-(5-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4709160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).