7-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol

C23H21NO3 — CID 135497074

IUPAC7-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol
SMILESCOc1cc(C)c(-c2ccc3cc(C)nc(C)c3c2O)c2cccc(O)c12
InChIInChI=1S/C23H21NO3/c1-12-10-19(27-4)22-16(6-5-7-18(22)25)20(12)17-9-8-15-11-13(2)24-14(3)21(15)23(17)26/h5-11,25-26H,1-4H3
InChIKeyLUHDTHRODISRMN-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.40
Rot. Bonds2

About 7-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol

7-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol (PubChem CID 135497074) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 7-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol.

Molecular Properties

Compound Name7-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol
PubChem CID135497074
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name7-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol
SMILESCOc1cc(C)c(-c2ccc3cc(C)nc(C)c3c2O)c2cccc(O)c12
InChIInChI=1S/C23H21NO3/c1-12-10-19(27-4)22-16(6-5-7-18(22)25)20(12)17-9-8-15-11-13(2)24-14(3)21(15)23(17)26/h5-11,25-26H,1-4H3
InChIKeyLUHDTHRODISRMN-UHFFFAOYSA-N
XLogP5.40
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol?
The IUPAC name of 7-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol (CID 135497074) is 7-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol.
What is the SMILES notation for 7-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol?
The canonical SMILES for 7-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol is COc1cc(C)c(-c2ccc3cc(C)nc(C)c3c2O)c2cccc(O)c12.
What is the InChIKey of 7-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol?
The InChIKey is LUHDTHRODISRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-12-10-19(27-4)22-16(6-5-7-18(22)25)20(12)17-9-8-15-11-13(2)24-14(3)21(15)23(17)26/h5-11,25-26H,1-4H3.
What are the key properties of 7-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol?
7-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol has a molecular weight of 359.43 g/mol, XLogP of 5.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol is sourced from PubChem (CID 135497074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).