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

C30H21N3O4S — CID 18868882

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

7-methyl-1'-[(4-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18868882) has the molecular formula C30H21N3O4S and a molecular weight of 519.58 g/mol. Its IUPAC name is 7-methyl-1'-[(4-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

• Compound Name: 7-methyl-1'-[(4-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• PubChem CID: 18868882
• Molecular Formula: C30H21N3O4S
• Molecular Weight: 519.58 g/mol
• Exact Mass: 519.13
• IUPAC Name: 7-methyl-1'-[(4-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• SMILES: Cc1ccc(CN2C(=O)C3(c4ccccc42)c2c(oc4ccc(C)cc4c2=O)C(=O)N3c2nccs2)cc1
• InChI: InChI=1S/C30H21N3O4S/c1-17-7-10-19(11-8-17)16-32-22-6-4-3-5-21(22)30(28(32)36)24-25(34)20-15-18(2)9-12-23(20)37-26(24)27(35)33(30)29-31-13-14-38-29/h3-15H,16H2,1-2H3
• InChIKey: PPSBJVDEYNBGHE-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 83.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.58
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-methyl-1'-[(4-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18868882) is 7-methyl-1'-[(4-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

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

The canonical SMILES for 7-methyl-1'-[(4-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is Cc1ccc(CN2C(=O)C3(c4ccccc42)c2c(oc4ccc(C)cc4c2=O)C(=O)N3c2nccs2)cc1.

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

The InChIKey is PPSBJVDEYNBGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3O4S/c1-17-7-10-19(11-8-17)16-32-22-6-4-3-5-21(22)30(28(32)36)24-25(34)20-15-18(2)9-12-23(20)37-26(24)27(35)33(30)29-31-13-14-38-29/h3-15H,16H2,1-2H3.

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

7-methyl-1'-[(4-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 519.58 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-1'-[(4-methylphenyl)methyl]-2-(1,3-thiazol-2-yl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18868882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).