6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline

C17H17NO2 — CID 622378

IUPAC6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)=NCC2
InChIInChI=1S/C17H17NO2/c1-19-15-10-13-8-9-18-17(12-6-4-3-5-7-12)14(13)11-16(15)20-2/h3-7,10-11H,8-9H2,1-2H3
InChIKeyWGTCMJBJRPKENJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.10
Rot. Bonds3

About 6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline

6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline (PubChem CID 622378) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline
PubChem CID622378
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)=NCC2
InChIInChI=1S/C17H17NO2/c1-19-15-10-13-8-9-18-17(12-6-4-3-5-7-12)14(13)11-16(15)20-2/h3-7,10-11H,8-9H2,1-2H3
InChIKeyWGTCMJBJRPKENJ-UHFFFAOYSA-N
XLogP3.10
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline?
The IUPAC name of 6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline (CID 622378) is 6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline is COc1cc2c(cc1OC)C(c1ccccc1)=NCC2.
What is the InChIKey of 6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline?
The InChIKey is WGTCMJBJRPKENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-19-15-10-13-8-9-18-17(12-6-4-3-5-7-12)14(13)11-16(15)20-2/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of 6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline?
6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline has a molecular weight of 267.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 622378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).