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

C31H20ClN3O4 — CID 18867542

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

1'-[(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18867542) has the molecular formula C31H20ClN3O4 and a molecular weight of 533.97 g/mol. Its IUPAC name is 1'-[(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

• Compound Name: 1'-[(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• PubChem CID: 18867542
• Molecular Formula: C31H20ClN3O4
• Molecular Weight: 533.97 g/mol
• Exact Mass: 533.11
• IUPAC Name: 1'-[(2-chlorophenyl)methyl]-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(Cc2ccccc2Cl)c2ccccc23)c1
• InChI: InChI=1S/C31H20ClN3O4/c1-18-14-15-33-25(16-18)35-29(37)28-26(27(36)20-9-3-7-13-24(20)39-28)31(35)21-10-4-6-12-23(21)34(30(31)38)17-19-8-2-5-11-22(19)32/h2-16H,17H2,1H3
• InChIKey: YHKPRGRPIZQHBL-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 83.72 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.97
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1'-[(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18867542) is 1'-[(2-chlorophenyl)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 1'-[(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The canonical SMILES for 1'-[(2-chlorophenyl)methyl]-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(Cc2ccccc2Cl)c2ccccc23)c1.

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

The InChIKey is YHKPRGRPIZQHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20ClN3O4/c1-18-14-15-33-25(16-18)35-29(37)28-26(27(36)20-9-3-7-13-24(20)39-28)31(35)21-10-4-6-12-23(21)34(30(31)38)17-19-8-2-5-11-22(19)32/h2-16H,17H2,1H3.

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

1'-[(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 533.97 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18867542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).