1-(4-ethylphenyl)-6,8-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H24N2O3 — CID 18890820

About 1-(4-ethylphenyl)-6,8-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-ethylphenyl)-6,8-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18890820) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-6,8-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(4-ethylphenyl)-6,8-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18890820
• Molecular Formula: C27H24N2O3
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.18
• IUPAC Name: 1-(4-ethylphenyl)-6,8-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCc1ccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2cccnc2)cc1
• InChI: InChI=1S/C27H24N2O3/c1-4-18-7-9-20(10-8-18)24-23-25(30)22-17(3)12-16(2)13-21(22)32-26(23)27(31)29(24)15-19-6-5-11-28-14-19/h5-14,24H,4,15H2,1-3H3
• InChIKey: MIIRAUJFZUQOEY-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 63.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.50
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-6,8-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(4-ethylphenyl)-6,8-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18890820) is 1-(4-ethylphenyl)-6,8-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(4-ethylphenyl)-6,8-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(4-ethylphenyl)-6,8-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2cccnc2)cc1.

What is the InChIKey of 1-(4-ethylphenyl)-6,8-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is MIIRAUJFZUQOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-4-18-7-9-20(10-8-18)24-23-25(30)22-17(3)12-16(2)13-21(22)32-26(23)27(31)29(24)15-19-6-5-11-28-14-19/h5-14,24H,4,15H2,1-3H3.

What are the key properties of 1-(4-ethylphenyl)-6,8-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(4-ethylphenyl)-6,8-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 424.50 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-ethylphenyl)-6,8-dimethyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18890820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).