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

C24H15ClN2O5 — CID 18853018

About 7-chloro-2-(3-methylphenyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-chloro-2-(3-methylphenyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18853018) has the molecular formula C24H15ClN2O5 and a molecular weight of 446.85 g/mol. Its IUPAC name is 7-chloro-2-(3-methylphenyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-2-(3-methylphenyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18853018
• Molecular Formula: C24H15ClN2O5
• Molecular Weight: 446.85 g/mol
• Exact Mass: 446.07
• IUPAC Name: 7-chloro-2-(3-methylphenyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)c1
• InChI: InChI=1S/C24H15ClN2O5/c1-13-4-2-6-16(10-13)26-21(14-5-3-7-17(11-14)27(30)31)20-22(28)18-12-15(25)8-9-19(18)32-23(20)24(26)29/h2-12,21H,1H3
• InChIKey: YMIRVUXXYOBPOY-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 93.66 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.85
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 7-chloro-2-(3-methylphenyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-chloro-2-(3-methylphenyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18853018) is 7-chloro-2-(3-methylphenyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-chloro-2-(3-methylphenyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-chloro-2-(3-methylphenyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3C2c2cccc([N+](=O)[O-])c2)c1.

What is the InChIKey of 7-chloro-2-(3-methylphenyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is YMIRVUXXYOBPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN2O5/c1-13-4-2-6-16(10-13)26-21(14-5-3-7-17(11-14)27(30)31)20-22(28)18-12-15(25)8-9-19(18)32-23(20)24(26)29/h2-12,21H,1H3.

What are the key properties of 7-chloro-2-(3-methylphenyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-chloro-2-(3-methylphenyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 446.85 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-(3-methylphenyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18853018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).