1-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline

C17H15Cl2NO2 — CID 46881329

IUPAC1-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(c1ccc(Cl)c(Cl)c1)=NCC2
InChIInChI=1S/C17H15Cl2NO2/c1-21-15-8-10-5-6-20-17(12(10)9-16(15)22-2)11-3-4-13(18)14(19)7-11/h3-4,7-9H,5-6H2,1-2H3
InChIKeySTEAFPVOWXZUDA-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.40
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline

1-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline (PubChem CID 46881329) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
PubChem CID46881329
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC Name1-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(c1ccc(Cl)c(Cl)c1)=NCC2
InChIInChI=1S/C17H15Cl2NO2/c1-21-15-8-10-5-6-20-17(12(10)9-16(15)22-2)11-3-4-13(18)14(19)7-11/h3-4,7-9H,5-6H2,1-2H3
InChIKeySTEAFPVOWXZUDA-UHFFFAOYSA-N
XLogP4.40
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline?
The IUPAC name of 1-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline (CID 46881329) is 1-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 1-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline is COc1cc2c(cc1OC)C(c1ccc(Cl)c(Cl)c1)=NCC2.
What is the InChIKey of 1-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline?
The InChIKey is STEAFPVOWXZUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c1-21-15-8-10-5-6-20-17(12(10)9-16(15)22-2)11-3-4-13(18)14(19)7-11/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline?
1-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline has a molecular weight of 336.22 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 46881329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).