6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride

C18H18ClNO2 — CID 3029075

IUPAC6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride
SMILESCOc1cc2c(-c3ccccc3)cnc(C)c2cc1OC.Cl
InChIInChI=1S/C18H17NO2.ClH/c1-12-14-9-17(20-2)18(21-3)10-15(14)16(11-19-12)13-7-5-4-6-8-13;/h4-11H,1-3H3;1H
InChIKeyPJXKHBGSZXSXOY-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.65
Rot. Bonds3

About 6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride

6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride (PubChem CID 3029075) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride.

Molecular Properties

Compound Name6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride
PubChem CID3029075
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride
SMILESCOc1cc2c(-c3ccccc3)cnc(C)c2cc1OC.Cl
InChIInChI=1S/C18H17NO2.ClH/c1-12-14-9-17(20-2)18(21-3)10-15(14)16(11-19-12)13-7-5-4-6-8-13;/h4-11H,1-3H3;1H
InChIKeyPJXKHBGSZXSXOY-UHFFFAOYSA-N
XLogP4.65
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,7-dimethoxy-1-methyl-4-phenylisoquinoline;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 6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride?
The IUPAC name of 6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride (CID 3029075) is 6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride.
What is the SMILES notation for 6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride?
The canonical SMILES for 6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride is COc1cc2c(-c3ccccc3)cnc(C)c2cc1OC.Cl.
What is the InChIKey of 6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride?
The InChIKey is PJXKHBGSZXSXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2.ClH/c1-12-14-9-17(20-2)18(21-3)10-15(14)16(11-19-12)13-7-5-4-6-8-13;/h4-11H,1-3H3;1H.
What are the key properties of 6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride?
6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride is sourced from PubChem (CID 3029075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).