1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidin-2-one

C20H20Cl2N2O — CID 66864800

IUPAC1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidin-2-one
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2N2CCCC2=O)C1
InChIInChI=1S/C20H20Cl2N2O/c1-23-11-16(15-9-13(21)10-18(22)17(15)12-23)14-5-2-3-6-19(14)24-8-4-7-20(24)25/h2-3,5-6,9-10,16H,4,7-8,11-12H2,1H3
InChIKeyJZMDIZMZDROITI-UHFFFAOYSA-N
MW375.30 g/mol
LogP4.70
Rot. Bonds2

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

1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidin-2-one (PubChem CID 66864800) has the molecular formula C20H20Cl2N2O and a molecular weight of 375.30 g/mol. Its IUPAC name is 1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidin-2-one
PubChem CID66864800
Molecular FormulaC20H20Cl2N2O
Molecular Weight375.30 g/mol
Exact Mass374.10
IUPAC Name1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidin-2-one
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2N2CCCC2=O)C1
InChIInChI=1S/C20H20Cl2N2O/c1-23-11-16(15-9-13(21)10-18(22)17(15)12-23)14-5-2-3-6-19(14)24-8-4-7-20(24)25/h2-3,5-6,9-10,16H,4,7-8,11-12H2,1H3
InChIKeyJZMDIZMZDROITI-UHFFFAOYSA-N
XLogP4.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione
CID 11689628
1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione;hydrochloride
CID 66865360
3-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-imidazol-2-one
CID 66865105
1-[2-[(4R)-8-bromo-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione;hydrochloride
CID 162337069
2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzenesulfonyl chloride
CID 89088125
6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 172804184
6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;ethane
CID 142248458
1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3-methylpyrrole-2,5-diol
CID 91534108
(4R)-6,8-dichloro-4-[2-(3,3-dimethyl-2H-pyrrol-1-yl)phenyl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 141156113
3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzoic acid
CID 22386852
3-[2-[(4R)-6,8-dichloro-2-cyclopropyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1-methylimidazolidine-2,4-dione
CID 11640556
3-[2-[(4R)-6,8-dichloro-2-cyclopropyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazolidin-2-one
CID 11647065

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidin-2-one (CID 66864800) is 1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidin-2-one is CN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2N2CCCC2=O)C1.
What is the InChIKey of 1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidin-2-one?
The InChIKey is JZMDIZMZDROITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O/c1-23-11-16(15-9-13(21)10-18(22)17(15)12-23)14-5-2-3-6-19(14)24-8-4-7-20(24)25/h2-3,5-6,9-10,16H,4,7-8,11-12H2,1H3.
What are the key properties of 1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidin-2-one?
1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidin-2-one has a molecular weight of 375.30 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 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]pyrrolidin-2-one is sourced from PubChem (CID 66864800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).