7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol

C24H25NO4 — CID 4534320

IUPAC7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol
SMILESCOc1c2c(cc(O)c1-c1ccc(O)c3c(OC)cc(C)cc13)CC(C)N=C2C
InChIInChI=1S/C24H25NO4/c1-12-8-17-16(6-7-18(26)22(17)20(9-12)28-4)23-19(27)11-15-10-13(2)25-14(3)21(15)24(23)29-5/h6-9,11,13,26-27H,10H2,1-5H3
InChIKeyYNZRHQDRHHJZQU-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.00
Rot. Bonds3

About 7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol

7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol (PubChem CID 4534320) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol.

Molecular Properties

Compound Name7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol
PubChem CID4534320
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol
SMILESCOc1c2c(cc(O)c1-c1ccc(O)c3c(OC)cc(C)cc13)CC(C)N=C2C
InChIInChI=1S/C24H25NO4/c1-12-8-17-16(6-7-18(26)22(17)20(9-12)28-4)23-19(27)11-15-10-13(2)25-14(3)21(15)24(23)29-5/h6-9,11,13,26-27H,10H2,1-5H3
InChIKeyYNZRHQDRHHJZQU-UHFFFAOYSA-N
XLogP5.00
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-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 7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol?
The IUPAC name of 7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol (CID 4534320) is 7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol.
What is the SMILES notation for 7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol?
The canonical SMILES for 7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol is COc1c2c(cc(O)c1-c1ccc(O)c3c(OC)cc(C)cc13)CC(C)N=C2C.
What is the InChIKey of 7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol?
The InChIKey is YNZRHQDRHHJZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-12-8-17-16(6-7-18(26)22(17)20(9-12)28-4)23-19(27)11-15-10-13(2)25-14(3)21(15)24(23)29-5/h6-9,11,13,26-27H,10H2,1-5H3.
What are the key properties of 7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol?
7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol has a molecular weight of 391.47 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol is sourced from PubChem (CID 4534320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).