2-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H15ClN2O6 — CID 18852055

About 2-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18852055) has the molecular formula C24H15ClN2O6 and a molecular weight of 462.85 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18852055
• Molecular Formula: C24H15ClN2O6
• Molecular Weight: 462.85 g/mol
• Exact Mass: 462.06
• IUPAC Name: 2-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc([N+](=O)[O-])cc2)cc1Cl
• InChI: InChI=1S/C24H15ClN2O6/c1-32-19-11-10-15(12-17(19)25)26-21(13-6-8-14(9-7-13)27(30)31)20-22(28)16-4-2-3-5-18(16)33-23(20)24(26)29/h2-12,21H,1H3
• InChIKey: CRDZBUABUZLJHI-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 102.89 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.85
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18852055) is 2-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc([N+](=O)[O-])cc2)cc1Cl.

What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is CRDZBUABUZLJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN2O6/c1-32-19-11-10-15(12-17(19)25)26-21(13-6-8-14(9-7-13)27(30)31)20-22(28)16-4-2-3-5-18(16)33-23(20)24(26)29/h2-12,21H,1H3.

What are the key properties of 2-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

2-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 462.85 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18852055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).