6,7-dimethyl-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C34H27N3O4 — CID 18869718

About 6,7-dimethyl-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

6,7-dimethyl-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18869718) has the molecular formula C34H27N3O4 and a molecular weight of 541.61 g/mol. Its IUPAC name is 6,7-dimethyl-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

• Compound Name: 6,7-dimethyl-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• PubChem CID: 18869718
• Molecular Formula: C34H27N3O4
• Molecular Weight: 541.61 g/mol
• Exact Mass: 541.20
• IUPAC Name: 6,7-dimethyl-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• SMILES: Cc1ccc(CN2C(=O)C3(c4ccccc42)c2c(oc4cc(C)c(C)cc4c2=O)C(=O)N3c2cc(C)ccn2)cc1
• InChI: InChI=1S/C34H27N3O4/c1-19-9-11-23(12-10-19)18-36-26-8-6-5-7-25(26)34(33(36)40)29-30(38)24-16-21(3)22(4)17-27(24)41-31(29)32(39)37(34)28-15-20(2)13-14-35-28/h5-17H,18H2,1-4H3
• InChIKey: DBGINAZQYHHFOX-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 83.72 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.61
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The IUPAC name of 6,7-dimethyl-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18869718) is 6,7-dimethyl-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

What is the SMILES notation for 6,7-dimethyl-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The canonical SMILES for 6,7-dimethyl-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is Cc1ccc(CN2C(=O)C3(c4ccccc42)c2c(oc4cc(C)c(C)cc4c2=O)C(=O)N3c2cc(C)ccn2)cc1.

What is the InChIKey of 6,7-dimethyl-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The InChIKey is DBGINAZQYHHFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N3O4/c1-19-9-11-23(12-10-19)18-36-26-8-6-5-7-25(26)34(33(36)40)29-30(38)24-16-21(3)22(4)17-27(24)41-31(29)32(39)37(34)28-15-20(2)13-14-35-28/h5-17H,18H2,1-4H3.

What are the key properties of 6,7-dimethyl-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

6,7-dimethyl-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 541.61 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethyl-1'-[(4-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18869718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).