6,7-bis(trideuteriomethoxy)-3,4-dihydroisoquinoline;hydrochloride

C11H14ClNO2 — CID 146157655

IUPAC6,7-bis(trideuteriomethoxy)-3,4-dihydroisoquinoline;hydrochloride
SMILESCl.[2H]C([2H])([2H])Oc1cc2c(cc1OC([2H])([2H])[2H])CCN=C2
InChIInChI=1S/C11H13NO2.ClH/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;/h5-7H,3-4H2,1-2H3;1H/i1D3,2D3;
InChIKeyPQXVEYYRJHMTEV-TXHXQZCNSA-N
MW233.73 g/mol
LogP2.10
Rot. Bonds4

About 6,7-bis(trideuteriomethoxy)-3,4-dihydroisoquinoline;hydrochloride

6,7-bis(trideuteriomethoxy)-3,4-dihydroisoquinoline;hydrochloride (PubChem CID 146157655) has the molecular formula C11H14ClNO2 and a molecular weight of 233.73 g/mol. Its IUPAC name is 6,7-bis(trideuteriomethoxy)-3,4-dihydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name6,7-bis(trideuteriomethoxy)-3,4-dihydroisoquinoline;hydrochloride
PubChem CID146157655
Molecular FormulaC11H14ClNO2
Molecular Weight233.73 g/mol
Exact Mass233.11
IUPAC Name6,7-bis(trideuteriomethoxy)-3,4-dihydroisoquinoline;hydrochloride
SMILESCl.[2H]C([2H])([2H])Oc1cc2c(cc1OC([2H])([2H])[2H])CCN=C2
InChIInChI=1S/C11H13NO2.ClH/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;/h5-7H,3-4H2,1-2H3;1H/i1D3,2D3;
InChIKeyPQXVEYYRJHMTEV-TXHXQZCNSA-N
XLogP2.10
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.73
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dimethoxy-3,4-dihydroisoquinolin-7-ol
CID 91665418
10,10,11,11,31,31,32,32,44,44,45,45-dodecadeuterio-7,14,21,28,35,42-hexakis(trideuteriomethoxy)-9,12,30,33,43,46-hexaoxadecacyclo[20.20.4.38,37.316,29.113,17.134,38.03,40.019,24.05,49.026,52]tetrapentaconta-1(42),2,5,7,13,15,17(54),19,21,23,26,28,34,36,38(47),40,49,51-octadecaene
CID 101016148
6,7-dimethoxy-3-methyl-1,2-dihydronaphthalene
CID 10703379
6-(1-benzothiophen-5-yl)-3,4-dihydroisoquinoline
CID 175935426
1-[(6,7-dimethoxy-3,4-dihydronaphthalen-2-yl)methyl]pyrrolidine;hydrochloride
CID 90673394
5,6,13,14-tetramethoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 628542
(2-acetyl-4-methylpentyl)-trimethylazanium;6,7-dimethoxy-3,4-dihydroisoquinoline;9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one;iodide
CID 159241313
1-[2-[3,3-dideuterio-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethyl]-6,7-bis(trideuteriomethoxy)-3,4-dihydroisoquinoline
CID 87553766
6-(2-cyclobutylpyrimidin-5-yl)-3,4-dihydroisoquinoline;hydrochloride
CID 173013189
5-chloro-2-N-(7-methoxy-3,4-dihydroisoquinolin-6-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 162643913
1-(2-bromoethyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 91664959
2-methyl-6-(trideuteriomethoxy)-3,4-dihydro-1H-isoquinolin-7-amine
CID 168846425

Frequently Asked Questions

What is the IUPAC name of 6,7-bis(trideuteriomethoxy)-3,4-dihydroisoquinoline;hydrochloride?
The IUPAC name of 6,7-bis(trideuteriomethoxy)-3,4-dihydroisoquinoline;hydrochloride (CID 146157655) is 6,7-bis(trideuteriomethoxy)-3,4-dihydroisoquinoline;hydrochloride.
What is the SMILES notation for 6,7-bis(trideuteriomethoxy)-3,4-dihydroisoquinoline;hydrochloride?
The canonical SMILES for 6,7-bis(trideuteriomethoxy)-3,4-dihydroisoquinoline;hydrochloride is Cl.[2H]C([2H])([2H])Oc1cc2c(cc1OC([2H])([2H])[2H])CCN=C2.
What is the InChIKey of 6,7-bis(trideuteriomethoxy)-3,4-dihydroisoquinoline;hydrochloride?
The InChIKey is PQXVEYYRJHMTEV-TXHXQZCNSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;/h5-7H,3-4H2,1-2H3;1H/i1D3,2D3;.
What are the key properties of 6,7-bis(trideuteriomethoxy)-3,4-dihydroisoquinoline;hydrochloride?
6,7-bis(trideuteriomethoxy)-3,4-dihydroisoquinoline;hydrochloride has a molecular weight of 233.73 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(trideuteriomethoxy)-3,4-dihydroisoquinoline;hydrochloride is sourced from PubChem (CID 146157655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).