3-[(1R)-1-(3-fluorophenyl)-6-methoxy-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium

C23H24FN2O4+ — CID 7641265

About 3-[(1R)-1-(3-fluorophenyl)-6-methoxy-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium

3-[(1R)-1-(3-fluorophenyl)-6-methoxy-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium (PubChem CID 7641265) has the molecular formula C23H24FN2O4+ and a molecular weight of 411.45 g/mol. Its IUPAC name is 3-[(1R)-1-(3-fluorophenyl)-6-methoxy-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium.

Molecular Properties

• Compound Name: 3-[(1R)-1-(3-fluorophenyl)-6-methoxy-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
• PubChem CID: 7641265
• Molecular Formula: C23H24FN2O4+
• Molecular Weight: 411.45 g/mol
• Exact Mass: 411.17
• IUPAC Name: 3-[(1R)-1-(3-fluorophenyl)-6-methoxy-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium
• SMILES: COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCC[NH+](C)C)[C@@H]3c1cccc(F)c1
• InChI: InChI=1S/C23H23FN2O4/c1-25(2)10-5-11-26-20(14-6-4-7-15(24)12-14)19-21(27)17-9-8-16(29-3)13-18(17)30-22(19)23(26)28/h4,6-9,12-13,20H,5,10-11H2,1-3H3/p+1/t20-/m1/s1
• InChIKey: SDBNLPOFUPYXJU-HXUWFJFHSA-O
• XLogP: 2.02
• TPSA: 64.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.45
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(3-fluorophenyl)-6-methoxy-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium?

The IUPAC name of 3-[(1R)-1-(3-fluorophenyl)-6-methoxy-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium (CID 7641265) is 3-[(1R)-1-(3-fluorophenyl)-6-methoxy-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium.

What is the SMILES notation for 3-[(1R)-1-(3-fluorophenyl)-6-methoxy-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium?

The canonical SMILES for 3-[(1R)-1-(3-fluorophenyl)-6-methoxy-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium is COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCC[NH+](C)C)[C@@H]3c1cccc(F)c1.

What is the InChIKey of 3-[(1R)-1-(3-fluorophenyl)-6-methoxy-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium?

The InChIKey is SDBNLPOFUPYXJU-HXUWFJFHSA-O. The full InChI is InChI=1S/C23H23FN2O4/c1-25(2)10-5-11-26-20(14-6-4-7-15(24)12-14)19-21(27)17-9-8-16(29-3)13-18(17)30-22(19)23(26)28/h4,6-9,12-13,20H,5,10-11H2,1-3H3/p+1/t20-/m1/s1.

What are the key properties of 3-[(1R)-1-(3-fluorophenyl)-6-methoxy-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium?

3-[(1R)-1-(3-fluorophenyl)-6-methoxy-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium has a molecular weight of 411.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1R)-1-(3-fluorophenyl)-6-methoxy-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]propyl-dimethylazanium is sourced from PubChem (CID 7641265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).