7-methyl-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H22N2O3 — CID 3363656

About 7-methyl-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-methyl-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3363656) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is 7-methyl-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-methyl-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 3363656
• Molecular Formula: C26H22N2O3
• Molecular Weight: 410.47 g/mol
• Exact Mass: 410.16
• IUPAC Name: 7-methyl-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(C(C)C)cc1)N(c1ccccn1)C3=O
• InChI: InChI=1S/C26H22N2O3/c1-15(2)17-8-10-18(11-9-17)23-22-24(29)19-14-16(3)7-12-20(19)31-25(22)26(30)28(23)21-6-4-5-13-27-21/h4-15,23H,1-3H3
• InChIKey: OAAAXMQTZBPDTE-UHFFFAOYSA-N
• XLogP: 5.37
• 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	5.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-methyl-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3363656) is 7-methyl-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-methyl-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(C(C)C)cc1)N(c1ccccn1)C3=O.

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

The InChIKey is OAAAXMQTZBPDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-15(2)17-8-10-18(11-9-17)23-22-24(29)19-14-16(3)7-12-20(19)31-25(22)26(30)28(23)21-6-4-5-13-27-21/h4-15,23H,1-3H3.

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

7-methyl-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 410.47 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3363656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).