2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C36H30N2O5 — CID 18869373

About 2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18869373) has the molecular formula C36H30N2O5 and a molecular weight of 570.65 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

• Compound Name: 2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• PubChem CID: 18869373
• Molecular Formula: C36H30N2O5
• Molecular Weight: 570.65 g/mol
• Exact Mass: 570.22
• IUPAC Name: 2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• SMILES: COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3C23C(=O)N(Cc2ccccc2C)c2ccccc23)cc1
• InChI: InChI=1S/C36H30N2O5/c1-22-12-17-30-27(20-22)32(39)31-33(43-30)34(40)38(19-18-24-13-15-26(42-3)16-14-24)36(31)28-10-6-7-11-29(28)37(35(36)41)21-25-9-5-4-8-23(25)2/h4-17,20H,18-19,21H2,1-3H3
• InChIKey: LTXANRIGMGHSGQ-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 80.06 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.65
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18869373) is 2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The canonical SMILES for 2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3C23C(=O)N(Cc2ccccc2C)c2ccccc23)cc1.

What is the InChIKey of 2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The InChIKey is LTXANRIGMGHSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N2O5/c1-22-12-17-30-27(20-22)32(39)31-33(43-30)34(40)38(19-18-24-13-15-26(42-3)16-14-24)36(31)28-10-6-7-11-29(28)37(35(36)41)21-25-9-5-4-8-23(25)2/h4-17,20H,18-19,21H2,1-3H3.

What are the key properties of 2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 570.65 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18869373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).