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

C31H21N3O4 — CID 18867362

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

1'-benzyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18867362) has the molecular formula C31H21N3O4 and a molecular weight of 499.53 g/mol. Its IUPAC name is 1'-benzyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

• Compound Name: 1'-benzyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• PubChem CID: 18867362
• Molecular Formula: C31H21N3O4
• Molecular Weight: 499.53 g/mol
• Exact Mass: 499.15
• IUPAC Name: 1'-benzyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• SMILES: Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3C23C(=O)N(Cc2ccccc2)c2ccccc23)c1
• InChI: InChI=1S/C31H21N3O4/c1-19-15-16-32-25(17-19)34-29(36)28-26(27(35)21-11-5-8-14-24(21)38-28)31(34)22-12-6-7-13-23(22)33(30(31)37)18-20-9-3-2-4-10-20/h2-17H,18H2,1H3
• InChIKey: OVJFHPKJGFZRKM-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 83.72 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.53
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1'-benzyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18867362) is 1'-benzyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

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

The canonical SMILES for 1'-benzyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3C23C(=O)N(Cc2ccccc2)c2ccccc23)c1.

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

The InChIKey is OVJFHPKJGFZRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N3O4/c1-19-15-16-32-25(17-19)34-29(36)28-26(27(35)21-11-5-8-14-24(21)38-28)31(34)22-12-6-7-13-23(22)33(30(31)37)18-20-9-3-2-4-10-20/h2-17H,18H2,1H3.

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

1'-benzyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 499.53 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-benzyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18867362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).