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

C20H19Cl3N2O2 — CID 66865360

IUPAC1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione;hydrochloride
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2N2C(=O)CCC2=O)C1.Cl
InChIInChI=1S/C20H18Cl2N2O2.ClH/c1-23-10-15(14-8-12(21)9-17(22)16(14)11-23)13-4-2-3-5-18(13)24-19(25)6-7-20(24)26;/h2-5,8-9,15H,6-7,10-11H2,1H3;1H
InChIKeyFKNUJLRVRKAMJS-UHFFFAOYSA-N
MW425.74 g/mol
LogP4.65
Rot. Bonds2

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

1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione;hydrochloride (PubChem CID 66865360) has the molecular formula C20H19Cl3N2O2 and a molecular weight of 425.74 g/mol. Its IUPAC name is 1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione;hydrochloride
PubChem CID66865360
Molecular FormulaC20H19Cl3N2O2
Molecular Weight425.74 g/mol
Exact Mass424.05
IUPAC Name1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione;hydrochloride
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2N2C(=O)CCC2=O)C1.Cl
InChIInChI=1S/C20H18Cl2N2O2.ClH/c1-23-10-15(14-8-12(21)9-17(22)16(14)11-23)13-4-2-3-5-18(13)24-19(25)6-7-20(24)26;/h2-5,8-9,15H,6-7,10-11H2,1H3;1H
InChIKeyFKNUJLRVRKAMJS-UHFFFAOYSA-N
XLogP4.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.74
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione;hydrochloride?
The IUPAC name of 1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione;hydrochloride (CID 66865360) is 1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione;hydrochloride.
What is the SMILES notation for 1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione;hydrochloride?
The canonical SMILES for 1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione;hydrochloride is CN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2N2C(=O)CCC2=O)C1.Cl.
What is the InChIKey of 1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione;hydrochloride?
The InChIKey is FKNUJLRVRKAMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O2.ClH/c1-23-10-15(14-8-12(21)9-17(22)16(14)11-23)13-4-2-3-5-18(13)24-19(25)6-7-20(24)26;/h2-5,8-9,15H,6-7,10-11H2,1H3;1H.
What are the key properties of 1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione;hydrochloride?
1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione;hydrochloride has a molecular weight of 425.74 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 66865360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).