1-(3-bromophenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H18BrNO4 — CID 664487

About 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-bromophenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 664487) has the molecular formula C24H18BrNO4 and a molecular weight of 464.32 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 664487
• Molecular Formula: C24H18BrNO4
• Molecular Weight: 464.32 g/mol
• Exact Mass: 463.04
• IUPAC Name: 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(Br)c1)N(Cc1ccco1)C3=O
• InChI: InChI=1S/C24H18BrNO4/c1-13-9-18-19(10-14(13)2)30-23-20(22(18)27)21(15-5-3-6-16(25)11-15)26(24(23)28)12-17-7-4-8-29-17/h3-11,21H,12H2,1-2H3
• InChIKey: GXFIAKUGGLKVSC-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 63.66 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.32
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 664487) is 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(Br)c1)N(Cc1ccco1)C3=O.

What is the InChIKey of 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is GXFIAKUGGLKVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrNO4/c1-13-9-18-19(10-14(13)2)30-23-20(22(18)27)21(15-5-3-6-16(25)11-15)26(24(23)28)12-17-7-4-8-29-17/h3-11,21H,12H2,1-2H3.

What are the key properties of 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(3-bromophenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 464.32 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-bromophenyl)-2-(furan-2-ylmethyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 664487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).