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

C34H27N3O4 — CID 18869898

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

6,7-dimethyl-1'-[(2-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18869898) has the molecular formula C34H27N3O4 and a molecular weight of 541.61 g/mol. Its IUPAC name is 6,7-dimethyl-1'-[(2-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'-[(2-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• PubChem CID: 18869898
• Molecular Formula: C34H27N3O4
• Molecular Weight: 541.61 g/mol
• Exact Mass: 541.20
• IUPAC Name: 6,7-dimethyl-1'-[(2-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• SMILES: Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C23C(=O)N(Cc2ccccc2C)c2ccccc23)c1
• InChI: InChI=1S/C34H27N3O4/c1-19-13-14-35-28(15-19)37-32(39)31-29(30(38)24-16-21(3)22(4)17-27(24)41-31)34(37)25-11-7-8-12-26(25)36(33(34)40)18-23-10-6-5-9-20(23)2/h5-17H,18H2,1-4H3
• InChIKey: NLYDATSBTHFYKG-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'-[(2-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'-[(2-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18869898) is 6,7-dimethyl-1'-[(2-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'-[(2-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'-[(2-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3C23C(=O)N(Cc2ccccc2C)c2ccccc23)c1.

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

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

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

6,7-dimethyl-1'-[(2-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'-[(2-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 18869898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).