3-(3,4-dihydro-2H-quinolin-1-yl)-1-ethyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione

C24H26N2O3 — CID 110575216

About 3-(3,4-dihydro-2H-quinolin-1-yl)-1-ethyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione

3-(3,4-dihydro-2H-quinolin-1-yl)-1-ethyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (PubChem CID 110575216) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-1-ethyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.

Molecular Properties

• Compound Name: 3-(3,4-dihydro-2H-quinolin-1-yl)-1-ethyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
• PubChem CID: 110575216
• Molecular Formula: C24H26N2O3
• Molecular Weight: 390.48 g/mol
• Exact Mass: 390.19
• IUPAC Name: 3-(3,4-dihydro-2H-quinolin-1-yl)-1-ethyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
• SMILES: CCN1C(=O)C(c2ccc(OC(C)C)cc2)=C(N2CCCc3ccccc32)C1=O
• InChI: InChI=1S/C24H26N2O3/c1-4-25-23(27)21(18-11-13-19(14-12-18)29-16(2)3)22(24(25)28)26-15-7-9-17-8-5-6-10-20(17)26/h5-6,8,10-14,16H,4,7,9,15H2,1-3H3
• InChIKey: WUBKZKCFNVYDSR-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.48
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-ethyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?

The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-ethyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione (CID 110575216) is 3-(3,4-dihydro-2H-quinolin-1-yl)-1-ethyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione.

What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-ethyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?

The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-ethyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is CCN1C(=O)C(c2ccc(OC(C)C)cc2)=C(N2CCCc3ccccc32)C1=O.

What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-ethyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?

The InChIKey is WUBKZKCFNVYDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-4-25-23(27)21(18-11-13-19(14-12-18)29-16(2)3)22(24(25)28)26-15-7-9-17-8-5-6-10-20(17)26/h5-6,8,10-14,16H,4,7,9,15H2,1-3H3.

What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-ethyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione?

3-(3,4-dihydro-2H-quinolin-1-yl)-1-ethyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione has a molecular weight of 390.48 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-ethyl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110575216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).