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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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).