4-methoxy-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)naphthalen-1-ol

C21H21NO2 — CID 53392135

IUPAC4-methoxy-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)naphthalen-1-ol
SMILESCOc1cc(C2c3ccccc3CCN2C)c(O)c2ccccc12
InChIInChI=1S/C21H21NO2/c1-22-12-11-14-7-3-4-8-15(14)20(22)18-13-19(24-2)16-9-5-6-10-17(16)21(18)23/h3-10,13,20,23H,11-12H2,1-2H3
InChIKeyOFPUUTGSQHEQMX-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.13
Rot. Bonds2

About 4-methoxy-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)naphthalen-1-ol

4-methoxy-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)naphthalen-1-ol (PubChem CID 53392135) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-methoxy-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)naphthalen-1-ol.

Molecular Properties

Compound Name4-methoxy-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)naphthalen-1-ol
PubChem CID53392135
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name4-methoxy-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)naphthalen-1-ol
SMILESCOc1cc(C2c3ccccc3CCN2C)c(O)c2ccccc12
InChIInChI=1S/C21H21NO2/c1-22-12-11-14-7-3-4-8-15(14)20(22)18-13-19(24-2)16-9-5-6-10-17(16)21(18)23/h3-10,13,20,23H,11-12H2,1-2H3
InChIKeyOFPUUTGSQHEQMX-UHFFFAOYSA-N
XLogP4.13
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol
CID 609741
2,4-dimethoxynaphthalen-1-ol
CID 12563547
6-bromo-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 10042357
2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 23568852
6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
CID 22646
[(1S)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 92772096
[(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 92772095
6-methoxy-2-methyl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol
CID 23919112
1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one
CID 141066118
1-(furan-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 15056816
6-methoxy-2-methyl-1-(1-naphthalen-1-ylcyclopropyl)-3,4-dihydro-1H-isoquinolin-7-ol
CID 22406827
methyl (4R,5R)-5-benzyl-7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-4-carboxylate
CID 56850624

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)naphthalen-1-ol?
The IUPAC name of 4-methoxy-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)naphthalen-1-ol (CID 53392135) is 4-methoxy-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)naphthalen-1-ol.
What is the SMILES notation for 4-methoxy-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)naphthalen-1-ol?
The canonical SMILES for 4-methoxy-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)naphthalen-1-ol is COc1cc(C2c3ccccc3CCN2C)c(O)c2ccccc12.
What is the InChIKey of 4-methoxy-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)naphthalen-1-ol?
The InChIKey is OFPUUTGSQHEQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-22-12-11-14-7-3-4-8-15(14)20(22)18-13-19(24-2)16-9-5-6-10-17(16)21(18)23/h3-10,13,20,23H,11-12H2,1-2H3.
What are the key properties of 4-methoxy-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)naphthalen-1-ol?
4-methoxy-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)naphthalen-1-ol has a molecular weight of 319.40 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)naphthalen-1-ol is sourced from PubChem (CID 53392135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).