6,7-dimethoxy-3,4-dihydroisoquinoline

C11H13NO2 — CID 30058

IUPAC6,7-dimethoxy-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC)CCN=C2
InChIInChI=1S/C11H13NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-7H,3-4H2,1-2H3
InChIKeyNSLJVQUDZCZJLK-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.68
Rot. Bonds2

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

6,7-dimethoxy-3,4-dihydroisoquinoline (PubChem CID 30058) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 6,7-dimethoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-3,4-dihydroisoquinoline
PubChem CID30058
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name6,7-dimethoxy-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC)CCN=C2
InChIInChI=1S/C11H13NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-7H,3-4H2,1-2H3
InChIKeyNSLJVQUDZCZJLK-UHFFFAOYSA-N
XLogP1.68
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-((3,4-Dimethoxyphenyl)methyl)-3,4-dihydro-6,7-dimethoxyisoquinoline
CID 22176
6,7-Dimethoxy-1-phenyl-3,4-dihydroisoquinoline
CID 622378
3,4-Dihydro-6,7-dimethoxy-1-methylisoquinoline
CID 22652
Veratraldoxime
CID 6861469
Diproteverine
CID 50463
1-(3,4-Dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 429249
6,7-Dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline
CID 872504
6,7-Dimethoxy-1-(2-phenylethyl)-3,4-dihydroisoquinoline
CID 3766962
(6,7-Dimethoxy-3,4-dihydro-isoquinolin-1-yl)-acetonitrile
CID 302555
4-[(E)-{[2-(3,4-dimethoxyphenyl)ethyl]imino}methyl]phenol
CID 1809906
Phenol, 2-[[[2-(3,4-dimethoxyphenyl)ethyl]imino]methyl]-
CID 2245956
6,7-Dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-3,4-dihydroisoquinoline
CID 22332367

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3,4-dihydroisoquinoline?
The IUPAC name of 6,7-dimethoxy-3,4-dihydroisoquinoline (CID 30058) is 6,7-dimethoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 6,7-dimethoxy-3,4-dihydroisoquinoline is COc1cc2c(cc1OC)CCN=C2.
What is the InChIKey of 6,7-dimethoxy-3,4-dihydroisoquinoline?
The InChIKey is NSLJVQUDZCZJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 6,7-dimethoxy-3,4-dihydroisoquinoline?
6,7-dimethoxy-3,4-dihydroisoquinoline has a molecular weight of 191.23 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 30058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).