1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)naphthalen-2-ol

C21H21NO3 — CID 43865947

IUPAC1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)naphthalen-2-ol
SMILESCOc1cc2c(cc1OC)C(c1c(O)ccc3ccccc13)NCC2
InChIInChI=1S/C21H21NO3/c1-24-18-11-14-9-10-22-21(16(14)12-19(18)25-2)20-15-6-4-3-5-13(15)7-8-17(20)23/h3-8,11-12,21-23H,9-10H2,1-2H3
InChIKeyHKLKGEIEZNATJU-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.80
Rot. Bonds3

About 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)naphthalen-2-ol

1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)naphthalen-2-ol (PubChem CID 43865947) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)naphthalen-2-ol
PubChem CID43865947
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)naphthalen-2-ol
SMILESCOc1cc2c(cc1OC)C(c1c(O)ccc3ccccc13)NCC2
InChIInChI=1S/C21H21NO3/c1-24-18-11-14-9-10-22-21(16(14)12-19(18)25-2)20-15-6-4-3-5-13(15)7-8-17(20)23/h3-8,11-12,21-23H,9-10H2,1-2H3
InChIKeyHKLKGEIEZNATJU-UHFFFAOYSA-N
XLogP3.80
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)naphthalen-2-ol 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 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)naphthalen-2-ol?
The IUPAC name of 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)naphthalen-2-ol (CID 43865947) is 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)naphthalen-2-ol?
The canonical SMILES for 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)naphthalen-2-ol is COc1cc2c(cc1OC)C(c1c(O)ccc3ccccc13)NCC2.
What is the InChIKey of 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)naphthalen-2-ol?
The InChIKey is HKLKGEIEZNATJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-24-18-11-14-9-10-22-21(16(14)12-19(18)25-2)20-15-6-4-3-5-13(15)7-8-17(20)23/h3-8,11-12,21-23H,9-10H2,1-2H3.
What are the key properties of 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)naphthalen-2-ol?
1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)naphthalen-2-ol has a molecular weight of 335.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)naphthalen-2-ol is sourced from PubChem (CID 43865947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).