1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydroisoquinoline;hydrochloride

C19H22ClNO3 — CID 12786859

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydroisoquinoline;hydrochloride
SMILESCOc1ccc2c(c1)CCN=C2Cc1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C19H21NO3.ClH/c1-21-15-5-6-16-14(12-15)8-9-20-17(16)10-13-4-7-18(22-2)19(11-13)23-3;/h4-7,11-12H,8-10H2,1-3H3;1H
InChIKeyALOAAQIBFZGSOS-UHFFFAOYSA-N
MW347.84 g/mol
LogP3.72
Rot. Bonds5

About 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydroisoquinoline;hydrochloride

1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydroisoquinoline;hydrochloride (PubChem CID 12786859) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydroisoquinoline;hydrochloride
PubChem CID12786859
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydroisoquinoline;hydrochloride
SMILESCOc1ccc2c(c1)CCN=C2Cc1ccc(OC)c(OC)c1.Cl
InChIInChI=1S/C19H21NO3.ClH/c1-21-15-5-6-16-14(12-15)8-9-20-17(16)10-13-4-7-18(22-2)19(11-13)23-3;/h4-7,11-12H,8-10H2,1-3H3;1H
InChIKeyALOAAQIBFZGSOS-UHFFFAOYSA-N
XLogP3.72
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydroisoquinoline;hydrochloride?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydroisoquinoline;hydrochloride (CID 12786859) is 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydroisoquinoline;hydrochloride.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydroisoquinoline;hydrochloride?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydroisoquinoline;hydrochloride is COc1ccc2c(c1)CCN=C2Cc1ccc(OC)c(OC)c1.Cl.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydroisoquinoline;hydrochloride?
The InChIKey is ALOAAQIBFZGSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3.ClH/c1-21-15-5-6-16-14(12-15)8-9-20-17(16)10-13-4-7-18(22-2)19(11-13)23-3;/h4-7,11-12H,8-10H2,1-3H3;1H.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydroisoquinoline;hydrochloride?
1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydroisoquinoline;hydrochloride has a molecular weight of 347.84 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydroisoquinoline;hydrochloride is sourced from PubChem (CID 12786859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).