7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one

C19H18Cl2N2O — CID 170347222

IUPAC7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccc3c(c2)C(=O)NCC3)C1
InChIInChI=1S/C19H18Cl2N2O/c1-23-9-16(15-7-13(20)8-18(21)17(15)10-23)12-3-2-11-4-5-22-19(24)14(11)6-12/h2-3,6-8,16H,4-5,9-10H2,1H3,(H,22,24)
InChIKeyYZJGDZYNMAAJMG-UHFFFAOYSA-N
MW361.27 g/mol
LogP3.86
Rot. Bonds1

About 7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one

7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 170347222) has the molecular formula C19H18Cl2N2O and a molecular weight of 361.27 g/mol. Its IUPAC name is 7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID170347222
Molecular FormulaC19H18Cl2N2O
Molecular Weight361.27 g/mol
Exact Mass360.08
IUPAC Name7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccc3c(c2)C(=O)NCC3)C1
InChIInChI=1S/C19H18Cl2N2O/c1-23-9-16(15-7-13(20)8-18(21)17(15)10-23)12-3-2-11-4-5-22-19(24)14(11)6-12/h2-3,6-8,16H,4-5,9-10H2,1H3,(H,22,24)
InChIKeyYZJGDZYNMAAJMG-UHFFFAOYSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one (CID 170347222) is 7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one is CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc3c(c2)C(=O)NCC3)C1.
What is the InChIKey of 7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is YZJGDZYNMAAJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O/c1-23-9-16(15-7-13(20)8-18(21)17(15)10-23)12-3-2-11-4-5-22-19(24)14(11)6-12/h2-3,6-8,16H,4-5,9-10H2,1H3,(H,22,24).
What are the key properties of 7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one?
7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 361.27 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 170347222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).