4-(6,8-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-5-yl)naphthalen-1-ol

C23H25NO3 — CID 24795173

IUPAC4-(6,8-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-5-yl)naphthalen-1-ol
SMILESCOc1cc(OC)c(-c2ccc(O)c3ccccc23)c2c1CNC(C)(C)C2
InChIInChI=1S/C23H25NO3/c1-23(2)12-17-18(13-24-23)20(26-3)11-21(27-4)22(17)16-9-10-19(25)15-8-6-5-7-14(15)16/h5-11,24-25H,12-13H2,1-4H3
InChIKeyHINNHOVESZQNMS-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.65
Rot. Bonds3

About 4-(6,8-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-5-yl)naphthalen-1-ol

4-(6,8-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-5-yl)naphthalen-1-ol (PubChem CID 24795173) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(6,8-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-5-yl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(6,8-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-5-yl)naphthalen-1-ol
PubChem CID24795173
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name4-(6,8-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-5-yl)naphthalen-1-ol
SMILESCOc1cc(OC)c(-c2ccc(O)c3ccccc23)c2c1CNC(C)(C)C2
InChIInChI=1S/C23H25NO3/c1-23(2)12-17-18(13-24-23)20(26-3)11-21(27-4)22(17)16-9-10-19(25)15-8-6-5-7-14(15)16/h5-11,24-25H,12-13H2,1-4H3
InChIKeyHINNHOVESZQNMS-UHFFFAOYSA-N
XLogP4.65
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(6,8-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-5-yl)naphthalen-1-ol with MolForge

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Related Compounds

Tretoquinol
CID 65772
(R)-(-)-2-methoxy-11-hydroxyaporphine
CID 24766199
Korupensamine A
CID 392421
6,7-Isoquinolinediol, 1,2,3,4-tetrahydro-1-[(3,4,5-trimethoxyphenyl)methyl]-, hydrochloride (1:1), (1R)-
CID 70687147
(R)-(-)-N-propyl-2-methoxy-11-hydroxynoraporphine
CID 24800688
Isopiline
CID 13891896
1-[(2,4-Dimethoxyphenyl)(morpholin-4-yl)methyl]naphthalen-2-ol
CID 621551
Ancistroealaine B
CID 10364043
N-acetyldioncophylline A
CID 10550013
Dioncophylline A
CID 443773
(-)-Michellamine A
CID 454909
(1R,3R)-7-(4-hydroxy-5-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 59095068

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-5-yl)naphthalen-1-ol?
The IUPAC name of 4-(6,8-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-5-yl)naphthalen-1-ol (CID 24795173) is 4-(6,8-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-5-yl)naphthalen-1-ol.
What is the SMILES notation for 4-(6,8-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-5-yl)naphthalen-1-ol?
The canonical SMILES for 4-(6,8-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-5-yl)naphthalen-1-ol is COc1cc(OC)c(-c2ccc(O)c3ccccc23)c2c1CNC(C)(C)C2.
What is the InChIKey of 4-(6,8-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-5-yl)naphthalen-1-ol?
The InChIKey is HINNHOVESZQNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-23(2)12-17-18(13-24-23)20(26-3)11-21(27-4)22(17)16-9-10-19(25)15-8-6-5-7-14(15)16/h5-11,24-25H,12-13H2,1-4H3.
What are the key properties of 4-(6,8-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-5-yl)naphthalen-1-ol?
4-(6,8-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-5-yl)naphthalen-1-ol has a molecular weight of 363.46 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dimethoxy-3,3-dimethyl-2,4-dihydro-1H-isoquinolin-5-yl)naphthalen-1-ol is sourced from PubChem (CID 24795173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).