7-bromo-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C21H20BrN3O3 — CID 4972896

About 7-bromo-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-bromo-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4972896) has the molecular formula C21H20BrN3O3 and a molecular weight of 442.31 g/mol. Its IUPAC name is 7-bromo-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-bromo-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4972896
• Molecular Formula: C21H20BrN3O3
• Molecular Weight: 442.31 g/mol
• Exact Mass: 441.07
• IUPAC Name: 7-bromo-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CN(C)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1cccnc1
• InChI: InChI=1S/C21H20BrN3O3/c1-24(2)9-4-10-25-18(13-5-3-8-23-12-13)17-19(26)15-11-14(22)6-7-16(15)28-20(17)21(25)27/h3,5-8,11-12,18H,4,9-10H2,1-2H3
• InChIKey: RSONJEXYTOYPOI-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 66.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.31
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-bromo-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4972896) is 7-bromo-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-bromo-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-bromo-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CN(C)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1cccnc1.

What is the InChIKey of 7-bromo-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is RSONJEXYTOYPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O3/c1-24(2)9-4-10-25-18(13-5-3-8-23-12-13)17-19(26)15-11-14(22)6-7-16(15)28-20(17)21(25)27/h3,5-8,11-12,18H,4,9-10H2,1-2H3.

What are the key properties of 7-bromo-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-bromo-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 442.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-[3-(dimethylamino)propyl]-1-pyridin-3-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4972896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).