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

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Related Compounds

1-[(3R)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-4,5-dimethoxynaphthalen-2-ol
CID 163065271
(1S,3R)-5-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 15377959
7-[4-hydroxy-3-[1-hydroxy-4-(6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl)-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 73079738
5-methoxy-7-methylnaphthalene-1,4-diol
CID 10608250
4-bromo-8-methoxy-6-methylnaphthalen-1-ol
CID 163914656
7-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6-methoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-8-ol
CID 21362776
(1R,3R)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline-6,8-diol
CID 163066508
5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
CID 5016519
(1R,3R)-7-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 155552929
(1S,3R)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6-methoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinolin-8-ol
CID 162904112
4-[(1R,3R)-2-benzyl-8-methoxy-1,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl]-8-methoxy-6-methylnaphthalen-1-ol
CID 101086411
(1R,3R)-7-[1-hydroxy-4-[4-hydroxy-3-[(1R,3R)-8-hydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-5-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-6-methylnaphthalen-2-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 10771184

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).