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

C26H21ClN2O3 — CID 3851414

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

7-chloro-1-(4-propan-2-ylphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3851414) has the molecular formula C26H21ClN2O3 and a molecular weight of 444.92 g/mol. Its IUPAC name is 7-chloro-1-(4-propan-2-ylphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-1-(4-propan-2-ylphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 3851414
• Molecular Formula: C26H21ClN2O3
• Molecular Weight: 444.92 g/mol
• Exact Mass: 444.12
• IUPAC Name: 7-chloro-1-(4-propan-2-ylphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CC(C)c1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2cccnc2)cc1
• InChI: InChI=1S/C26H21ClN2O3/c1-15(2)17-5-7-18(8-6-17)23-22-24(30)20-12-19(27)9-10-21(20)32-25(22)26(31)29(23)14-16-4-3-11-28-13-16/h3-13,15,23H,14H2,1-2H3
• InChIKey: PRYHPIOWQJEAIL-UHFFFAOYSA-N
• XLogP: 5.71
• 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	444.92
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 7-chloro-1-(4-propan-2-ylphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3851414) is 7-chloro-1-(4-propan-2-ylphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-chloro-1-(4-propan-2-ylphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC(C)c1ccc(C2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2cccnc2)cc1.

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

The InChIKey is PRYHPIOWQJEAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O3/c1-15(2)17-5-7-18(8-6-17)23-22-24(30)20-12-19(27)9-10-21(20)32-25(22)26(31)29(23)14-16-4-3-11-28-13-16/h3-13,15,23H,14H2,1-2H3.

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

7-chloro-1-(4-propan-2-ylphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 444.92 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-(4-propan-2-ylphenyl)-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3851414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).