1-(4-ethylphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H22N2O3 — CID 4708827

About 1-(4-ethylphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(4-ethylphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4708827) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(4-ethylphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4708827
• Molecular Formula: C26H22N2O3
• Molecular Weight: 410.47 g/mol
• Exact Mass: 410.16
• IUPAC Name: 1-(4-ethylphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccn2)cc1
• InChI: InChI=1S/C26H22N2O3/c1-4-17-8-10-18(11-9-17)23-22-24(29)19-13-15(2)16(3)14-20(19)31-25(22)26(30)28(23)21-7-5-6-12-27-21/h5-14,23H,4H2,1-3H3
• InChIKey: MWYQVBCESBWQEL-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 63.41 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.47
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(4-ethylphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4708827) is 1-(4-ethylphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(4-ethylphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(4-ethylphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccn2)cc1.

What is the InChIKey of 1-(4-ethylphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is MWYQVBCESBWQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-4-17-8-10-18(11-9-17)23-22-24(29)19-13-15(2)16(3)14-20(19)31-25(22)26(30)28(23)21-7-5-6-12-27-21/h5-14,23H,4H2,1-3H3.

What are the key properties of 1-(4-ethylphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(4-ethylphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 410.47 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-ethylphenyl)-6,7-dimethyl-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4708827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).