1-(3-methoxyphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H30N2O5 — CID 50754141

About 1-(3-methoxyphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-methoxyphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 50754141) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-methoxyphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 50754141
• Molecular Formula: C27H30N2O5
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.22
• IUPAC Name: 1-(3-methoxyphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1cccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCN2CCOCC2)c1
• InChI: InChI=1S/C27H30N2O5/c1-17-14-18(2)22-21(15-17)34-26-23(25(22)30)24(19-6-4-7-20(16-19)32-3)29(27(26)31)9-5-8-28-10-12-33-13-11-28/h4,6-7,14-16,24H,5,8-13H2,1-3H3
• InChIKey: ZQANGHUCGXSHBZ-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 72.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(3-methoxyphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 50754141) is 1-(3-methoxyphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(3-methoxyphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(3-methoxyphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCN2CCOCC2)c1.

What is the InChIKey of 1-(3-methoxyphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is ZQANGHUCGXSHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-17-14-18(2)22-21(15-17)34-26-23(25(22)30)24(19-6-4-7-20(16-19)32-3)29(27(26)31)9-5-8-28-10-12-33-13-11-28/h4,6-7,14-16,24H,5,8-13H2,1-3H3.

What are the key properties of 1-(3-methoxyphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(3-methoxyphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 462.55 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-methoxyphenyl)-6,8-dimethyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 50754141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).