2-(2,4-dichlorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline

C16H15Cl2NO — CID 69473036

IUPAC2-(2,4-dichlorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(c1ccc(Cl)cc1Cl)C2
InChIInChI=1S/C16H15Cl2NO/c1-20-14-4-2-12-10-19(7-6-11(12)8-14)16-5-3-13(17)9-15(16)18/h2-5,8-9H,6-7,10H2,1H3
InChIKeyHJLJDVNQUYFCNE-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.56
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline

2-(2,4-dichlorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline (PubChem CID 69473036) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline
PubChem CID69473036
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name2-(2,4-dichlorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(c1ccc(Cl)cc1Cl)C2
InChIInChI=1S/C16H15Cl2NO/c1-20-14-4-2-12-10-19(7-6-11(12)8-14)16-5-3-13(17)9-15(16)18/h2-5,8-9H,6-7,10H2,1H3
InChIKeyHJLJDVNQUYFCNE-UHFFFAOYSA-N
XLogP4.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-2-(4-methoxy-2-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 69472084
2-(2-chloro-4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-7-carbaldehyde
CID 130319222
6-methoxy-2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinoline
CID 151735718
4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)naphthalene-1-carbonitrile
CID 11507918
5-chloro-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzonitrile
CID 133282147
2-(2-fluoro-4-nitrophenyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 133273552
6-methoxy-2-pyridin-3-yl-3,4-dihydro-1H-isoquinoline
CID 175712154
7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 57042717
2-[[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 59799721
6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
CID 11573806
2-(2,5-dichlorophenyl)-1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 86874247
2-(4-fluoro-2-nitrophenyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 133273591

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(2,4-dichlorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline (CID 69473036) is 2-(2,4-dichlorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(2,4-dichlorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CCN(c1ccc(Cl)cc1Cl)C2.
What is the InChIKey of 2-(2,4-dichlorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline?
The InChIKey is HJLJDVNQUYFCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-20-14-4-2-12-10-19(7-6-11(12)8-14)16-5-3-13(17)9-15(16)18/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline?
2-(2,4-dichlorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline has a molecular weight of 308.21 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-6-methoxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 69473036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).