1-(3-bromophenyl)-2-(3-chloro-4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C26H19BrClNO4 — CID 18856392

About 1-(3-bromophenyl)-2-(3-chloro-4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-bromophenyl)-2-(3-chloro-4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856392) has the molecular formula C26H19BrClNO4 and a molecular weight of 524.80 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(3-chloro-4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-bromophenyl)-2-(3-chloro-4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18856392
• Molecular Formula: C26H19BrClNO4
• Molecular Weight: 524.80 g/mol
• Exact Mass: 523.02
• IUPAC Name: 1-(3-bromophenyl)-2-(3-chloro-4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2cccc(Br)c2)cc1Cl
• InChI: InChI=1S/C26H19BrClNO4/c1-13-9-18-21(10-14(13)2)33-25-22(24(18)30)23(15-5-4-6-16(27)11-15)29(26(25)31)17-7-8-20(32-3)19(28)12-17/h4-12,23H,1-3H3
• InChIKey: KSTSTDWKQDCRHU-UHFFFAOYSA-N
• XLogP: 6.58
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.80
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(3-chloro-4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(3-bromophenyl)-2-(3-chloro-4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856392) is 1-(3-bromophenyl)-2-(3-chloro-4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(3-bromophenyl)-2-(3-chloro-4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(3-bromophenyl)-2-(3-chloro-4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C2c2cccc(Br)c2)cc1Cl.

What is the InChIKey of 1-(3-bromophenyl)-2-(3-chloro-4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is KSTSTDWKQDCRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BrClNO4/c1-13-9-18-21(10-14(13)2)33-25-22(24(18)30)23(15-5-4-6-16(27)11-15)29(26(25)31)17-7-8-20(32-3)19(28)12-17/h4-12,23H,1-3H3.

What are the key properties of 1-(3-bromophenyl)-2-(3-chloro-4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(3-bromophenyl)-2-(3-chloro-4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 524.80 g/mol, XLogP of 6.58, 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-(3-chloro-4-methoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).