1-(2,3-dichlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one

C17H15Cl2NO3 — CID 3115380

IUPAC1-(2,3-dichlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one
SMILESCOc1cc2c(cc1OC)C(c1cccc(Cl)c1Cl)NC(=O)C2
InChIInChI=1S/C17H15Cl2NO3/c1-22-13-6-9-7-15(21)20-17(11(9)8-14(13)23-2)10-4-3-5-12(18)16(10)19/h3-6,8,17H,7H2,1-2H3,(H,20,21)
InChIKeyCUZILVHEWUYTCC-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.77
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one

1-(2,3-dichlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one (PubChem CID 3115380) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one
PubChem CID3115380
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Name1-(2,3-dichlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one
SMILESCOc1cc2c(cc1OC)C(c1cccc(Cl)c1Cl)NC(=O)C2
InChIInChI=1S/C17H15Cl2NO3/c1-22-13-6-9-7-15(21)20-17(11(9)8-14(13)23-2)10-4-3-5-12(18)16(10)19/h3-6,8,17H,7H2,1-2H3,(H,20,21)
InChIKeyCUZILVHEWUYTCC-UHFFFAOYSA-N
XLogP3.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one?
The IUPAC name of 1-(2,3-dichlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one (CID 3115380) is 1-(2,3-dichlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one?
The canonical SMILES for 1-(2,3-dichlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one is COc1cc2c(cc1OC)C(c1cccc(Cl)c1Cl)NC(=O)C2.
What is the InChIKey of 1-(2,3-dichlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one?
The InChIKey is CUZILVHEWUYTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c1-22-13-6-9-7-15(21)20-17(11(9)8-14(13)23-2)10-4-3-5-12(18)16(10)19/h3-6,8,17H,7H2,1-2H3,(H,20,21).
What are the key properties of 1-(2,3-dichlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one?
1-(2,3-dichlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one has a molecular weight of 352.22 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-6,7-dimethoxy-2,4-dihydro-1H-isoquinolin-3-one is sourced from PubChem (CID 3115380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).