6,7-dimethoxy-1-(2-phenylethenyl)-3,4-dihydroisoquinoline

C19H19NO2 — CID 54003250

IUPAC6,7-dimethoxy-1-(2-phenylethenyl)-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(C=Cc1ccccc1)=NCC2
InChIInChI=1S/C19H19NO2/c1-21-18-12-15-10-11-20-17(16(15)13-19(18)22-2)9-8-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3
InChIKeyKNCCEEFRZQYSNI-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.76
Rot. Bonds4

About 6,7-dimethoxy-1-(2-phenylethenyl)-3,4-dihydroisoquinoline

6,7-dimethoxy-1-(2-phenylethenyl)-3,4-dihydroisoquinoline (PubChem CID 54003250) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6,7-dimethoxy-1-(2-phenylethenyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-(2-phenylethenyl)-3,4-dihydroisoquinoline
PubChem CID54003250
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name6,7-dimethoxy-1-(2-phenylethenyl)-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(C=Cc1ccccc1)=NCC2
InChIInChI=1S/C19H19NO2/c1-21-18-12-15-10-11-20-17(16(15)13-19(18)22-2)9-8-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3
InChIKeyKNCCEEFRZQYSNI-UHFFFAOYSA-N
XLogP3.76
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dibutoxy-1-[(E)-2-(4-chlorophenyl)ethenyl]-3,4-dihydroisoquinoline
CID 22158274
6-butoxy-1-[(E)-2-phenylethenyl]-3,4-dihydroisoquinoline;hydrochloride
CID 22158294
1-[dimethoxy(phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 101485543
N-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-N-phenylaniline;hydrochloride
CID 70505599
(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine
CID 16637178
tert-butyl-[(S)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-phenylmethoxy]-dimethylsilane
CID 102577252
7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 11110673
(2E)-2-benzylidene-6,7-dimethoxy-3,4-dihydronaphthalen-1-one
CID 5468133
4-[(E)-2-(7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepin-1-yl)ethenyl]-N,N-dimethylaniline
CID 15379974
(2-chlorophenyl)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanone
CID 10568385
6,7-dimethoxy-1-(3-methoxyphenyl)-3,4-dihydroisoquinoline
CID 626628
7-methoxy-1-phenyl-3,4-dihydroisoquinolin-6-ol
CID 135507780

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-(2-phenylethenyl)-3,4-dihydroisoquinoline?
The IUPAC name of 6,7-dimethoxy-1-(2-phenylethenyl)-3,4-dihydroisoquinoline (CID 54003250) is 6,7-dimethoxy-1-(2-phenylethenyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-(2-phenylethenyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-(2-phenylethenyl)-3,4-dihydroisoquinoline is COc1cc2c(cc1OC)C(C=Cc1ccccc1)=NCC2.
What is the InChIKey of 6,7-dimethoxy-1-(2-phenylethenyl)-3,4-dihydroisoquinoline?
The InChIKey is KNCCEEFRZQYSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-21-18-12-15-10-11-20-17(16(15)13-19(18)22-2)9-8-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 6,7-dimethoxy-1-(2-phenylethenyl)-3,4-dihydroisoquinoline?
6,7-dimethoxy-1-(2-phenylethenyl)-3,4-dihydroisoquinoline has a molecular weight of 293.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-(2-phenylethenyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 54003250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).