7-fluoro-2-(2-hydroxyethyl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C28H21FN2O5 — CID 18868559

About 7-fluoro-2-(2-hydroxyethyl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

7-fluoro-2-(2-hydroxyethyl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18868559) has the molecular formula C28H21FN2O5 and a molecular weight of 484.48 g/mol. Its IUPAC name is 7-fluoro-2-(2-hydroxyethyl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

• Compound Name: 7-fluoro-2-(2-hydroxyethyl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• PubChem CID: 18868559
• Molecular Formula: C28H21FN2O5
• Molecular Weight: 484.48 g/mol
• Exact Mass: 484.14
• IUPAC Name: 7-fluoro-2-(2-hydroxyethyl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• SMILES: Cc1ccccc1CN1C(=O)C2(c3ccccc31)c1c(oc3ccc(F)cc3c1=O)C(=O)N2CCO
• InChI: InChI=1S/C28H21FN2O5/c1-16-6-2-3-7-17(16)15-30-21-9-5-4-8-20(21)28(27(30)35)23-24(33)19-14-18(29)10-11-22(19)36-25(23)26(34)31(28)12-13-32/h2-11,14,32H,12-13,15H2,1H3
• InChIKey: LNCSMMWQZQIRFE-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 91.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.48
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(2-hydroxyethyl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The IUPAC name of 7-fluoro-2-(2-hydroxyethyl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18868559) is 7-fluoro-2-(2-hydroxyethyl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

What is the SMILES notation for 7-fluoro-2-(2-hydroxyethyl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The canonical SMILES for 7-fluoro-2-(2-hydroxyethyl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is Cc1ccccc1CN1C(=O)C2(c3ccccc31)c1c(oc3ccc(F)cc3c1=O)C(=O)N2CCO.

What is the InChIKey of 7-fluoro-2-(2-hydroxyethyl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The InChIKey is LNCSMMWQZQIRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN2O5/c1-16-6-2-3-7-17(16)15-30-21-9-5-4-8-20(21)28(27(30)35)23-24(33)19-14-18(29)10-11-22(19)36-25(23)26(34)31(28)12-13-32/h2-11,14,32H,12-13,15H2,1H3.

What are the key properties of 7-fluoro-2-(2-hydroxyethyl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

7-fluoro-2-(2-hydroxyethyl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 484.48 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-2-(2-hydroxyethyl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18868559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).