1-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione

C20H18Cl2N2O2 — CID 11596228

About 1-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione

1-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione (PubChem CID 11596228) has the molecular formula C20H18Cl2N2O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is 1-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione
• PubChem CID: 11596228
• Molecular Formula: C20H18Cl2N2O2
• Molecular Weight: 389.28 g/mol
• Exact Mass: 388.07
• IUPAC Name: 1-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione
• SMILES: CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(N3C(=O)CCC3=O)cc2)C1
• InChI: InChI=1S/C20H18Cl2N2O2/c1-23-10-16(15-8-13(21)9-18(22)17(15)11-23)12-2-4-14(5-3-12)24-19(25)6-7-20(24)26/h2-5,8-9,16H,6-7,10-11H2,1H3
• InChIKey: BUVCPSXGCJUFFH-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.28
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione?

The IUPAC name of 1-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione (CID 11596228) is 1-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione.

What is the SMILES notation for 1-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione?

The canonical SMILES for 1-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione is CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(N3C(=O)CCC3=O)cc2)C1.

What is the InChIKey of 1-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione?

The InChIKey is BUVCPSXGCJUFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2/c1-23-10-16(15-8-13(21)9-18(22)17(15)11-23)12-2-4-14(5-3-12)24-19(25)6-7-20(24)26/h2-5,8-9,16H,6-7,10-11H2,1H3.

What are the key properties of 1-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione?

1-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 389.28 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 11596228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).