7-methyl-2-(5-methyl-2-pyridinyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C31H24N2O4 — CID 4708972

About 7-methyl-2-(5-methyl-2-pyridinyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-methyl-2-(5-methyl-2-pyridinyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 4708972) has the molecular formula C31H24N2O4 and a molecular weight of 488.54 g/mol. Its IUPAC name is 7-methyl-2-(5-methyl-2-pyridinyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-methyl-2-(5-methyl-2-pyridinyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 4708972
• Molecular Formula: C31H24N2O4
• Molecular Weight: 488.54 g/mol
• Exact Mass: 488.17
• IUPAC Name: 7-methyl-2-(5-methyl-2-pyridinyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1ccc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccc(OCc3ccccc3)cc2)nc1
• InChI: InChI=1S/C31H24N2O4/c1-19-8-14-25-24(16-19)29(34)27-28(33(31(35)30(27)37-25)26-15-9-20(2)17-32-26)22-10-12-23(13-11-22)36-18-21-6-4-3-5-7-21/h3-17,28H,18H2,1-2H3
• InChIKey: JJLZZUGTKJRPDP-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 72.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.54
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(5-methyl-2-pyridinyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-methyl-2-(5-methyl-2-pyridinyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 4708972) is 7-methyl-2-(5-methyl-2-pyridinyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-methyl-2-(5-methyl-2-pyridinyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-methyl-2-(5-methyl-2-pyridinyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3C2c2ccc(OCc3ccccc3)cc2)nc1.

What is the InChIKey of 7-methyl-2-(5-methyl-2-pyridinyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is JJLZZUGTKJRPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2O4/c1-19-8-14-25-24(16-19)29(34)27-28(33(31(35)30(27)37-25)26-15-9-20(2)17-32-26)22-10-12-23(13-11-22)36-18-21-6-4-3-5-7-21/h3-17,28H,18H2,1-2H3.

What are the key properties of 7-methyl-2-(5-methyl-2-pyridinyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-methyl-2-(5-methyl-2-pyridinyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 488.54 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-2-(5-methyl-2-pyridinyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 4708972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).