7-chloro-1-(4-chlorophenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H16Cl2N2O3 — CID 4894875

About 7-chloro-1-(4-chlorophenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-1-(4-chlorophenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4894875) has the molecular formula C24H16Cl2N2O3 and a molecular weight of 451.31 g/mol. Its IUPAC name is 7-chloro-1-(4-chlorophenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-1-(4-chlorophenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4894875
• Molecular Formula: C24H16Cl2N2O3
• Molecular Weight: 451.31 g/mol
• Exact Mass: 450.05
• IUPAC Name: 7-chloro-1-(4-chlorophenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cc2oc3c(c(=O)c2cc1Cl)C(c1ccc(Cl)cc1)N(Cc1cccnc1)C3=O
• InChI: InChI=1S/C24H16Cl2N2O3/c1-13-9-19-17(10-18(13)26)22(29)20-21(15-4-6-16(25)7-5-15)28(24(30)23(20)31-19)12-14-3-2-8-27-11-14/h2-11,21H,12H2,1H3
• InChIKey: ZNVPLIQRAOPYSC-UHFFFAOYSA-N
• XLogP: 5.55
• 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	451.31
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4-chlorophenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-chloro-1-(4-chlorophenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4894875) is 7-chloro-1-(4-chlorophenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-chloro-1-(4-chlorophenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-chloro-1-(4-chlorophenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1Cl)C(c1ccc(Cl)cc1)N(Cc1cccnc1)C3=O.

What is the InChIKey of 7-chloro-1-(4-chlorophenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is ZNVPLIQRAOPYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N2O3/c1-13-9-19-17(10-18(13)26)22(29)20-21(15-4-6-16(25)7-5-15)28(24(30)23(20)31-19)12-14-3-2-8-27-11-14/h2-11,21H,12H2,1H3.

What are the key properties of 7-chloro-1-(4-chlorophenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-chloro-1-(4-chlorophenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 451.31 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-1-(4-chlorophenyl)-6-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4894875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).