3,3-diethyl-6,7-dimethoxy-1-methyl-4H-isoquinoline;hydrochloride

C16H24ClNO2 — CID 52993903

IUPAC3,3-diethyl-6,7-dimethoxy-1-methyl-4H-isoquinoline;hydrochloride
SMILESCCC1(CC)Cc2cc(OC)c(OC)cc2C(C)=N1.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-6-16(7-2)10-12-8-14(18-4)15(19-5)9-13(12)11(3)17-16;/h8-9H,6-7,10H2,1-5H3;1H
InChIKeyUEOZERYLQFHWHE-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.05
Rot. Bonds4

About 3,3-diethyl-6,7-dimethoxy-1-methyl-4H-isoquinoline;hydrochloride

3,3-diethyl-6,7-dimethoxy-1-methyl-4H-isoquinoline;hydrochloride (PubChem CID 52993903) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 3,3-diethyl-6,7-dimethoxy-1-methyl-4H-isoquinoline;hydrochloride.

Molecular Properties

Compound Name3,3-diethyl-6,7-dimethoxy-1-methyl-4H-isoquinoline;hydrochloride
PubChem CID52993903
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name3,3-diethyl-6,7-dimethoxy-1-methyl-4H-isoquinoline;hydrochloride
SMILESCCC1(CC)Cc2cc(OC)c(OC)cc2C(C)=N1.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-6-16(7-2)10-12-8-14(18-4)15(19-5)9-13(12)11(3)17-16;/h8-9H,6-7,10H2,1-5H3;1H
InChIKeyUEOZERYLQFHWHE-UHFFFAOYSA-N
XLogP4.05
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3-diethyl-6,7-dimethoxy-1-methyl-4H-isoquinoline;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-6,7-dimethoxy-1-methyl-4H-isoquinoline;hydrochloride?
The IUPAC name of 3,3-diethyl-6,7-dimethoxy-1-methyl-4H-isoquinoline;hydrochloride (CID 52993903) is 3,3-diethyl-6,7-dimethoxy-1-methyl-4H-isoquinoline;hydrochloride.
What is the SMILES notation for 3,3-diethyl-6,7-dimethoxy-1-methyl-4H-isoquinoline;hydrochloride?
The canonical SMILES for 3,3-diethyl-6,7-dimethoxy-1-methyl-4H-isoquinoline;hydrochloride is CCC1(CC)Cc2cc(OC)c(OC)cc2C(C)=N1.Cl.
What is the InChIKey of 3,3-diethyl-6,7-dimethoxy-1-methyl-4H-isoquinoline;hydrochloride?
The InChIKey is UEOZERYLQFHWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2.ClH/c1-6-16(7-2)10-12-8-14(18-4)15(19-5)9-13(12)11(3)17-16;/h8-9H,6-7,10H2,1-5H3;1H.
What are the key properties of 3,3-diethyl-6,7-dimethoxy-1-methyl-4H-isoquinoline;hydrochloride?
3,3-diethyl-6,7-dimethoxy-1-methyl-4H-isoquinoline;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-6,7-dimethoxy-1-methyl-4H-isoquinoline;hydrochloride is sourced from PubChem (CID 52993903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).