8-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol

C21H21NO2 — CID 68999624

IUPAC8-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCOc1c(O)ccc2c1CN(C)CC2c1ccc2ccccc2c1
InChIInChI=1S/C21H21NO2/c1-22-12-18(16-8-7-14-5-3-4-6-15(14)11-16)17-9-10-20(23)21(24-2)19(17)13-22/h3-11,18,23H,12-13H2,1-2H3
InChIKeyBTKHJLZAUHHRGG-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.13
Rot. Bonds2

About 8-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol

8-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol (PubChem CID 68999624) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 8-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol.

Molecular Properties

Compound Name8-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol
PubChem CID68999624
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name8-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCOc1c(O)ccc2c1CN(C)CC2c1ccc2ccccc2c1
InChIInChI=1S/C21H21NO2/c1-22-12-18(16-8-7-14-5-3-4-6-15(14)11-16)17-9-10-20(23)21(24-2)19(17)13-22/h3-11,18,23H,12-13H2,1-2H3
InChIKeyBTKHJLZAUHHRGG-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

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Related Compounds

(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 129384739
4-(2,8-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)morpholine
CID 68994440
(4R)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-ol
CID 71497499
(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl) trifluoromethanesulfonate
CID 87201660
2-methyl-4-naphthalen-2-yl-7-(1,3,5-triazin-2-yl)-3,4-dihydro-1H-isoquinoline
CID 68995347
2,5-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 68993738
3-(8-amino-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenol
CID 20531690
(Z)-but-2-enedioic acid;2,7-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 131727463
2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 68996731
4-[4-(1-benzothiophen-6-yl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]morpholine
CID 68997345
7-bromo-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline;(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol;(2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)methanol;[(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-yl]methanol
CID 159778265
4-(8-chloronaphthalen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68995503

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol?
The IUPAC name of 8-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol (CID 68999624) is 8-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol.
What is the SMILES notation for 8-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol?
The canonical SMILES for 8-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol is COc1c(O)ccc2c1CN(C)CC2c1ccc2ccccc2c1.
What is the InChIKey of 8-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol?
The InChIKey is BTKHJLZAUHHRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-22-12-18(16-8-7-14-5-3-4-6-15(14)11-16)17-9-10-20(23)21(24-2)19(17)13-22/h3-11,18,23H,12-13H2,1-2H3.
What are the key properties of 8-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol?
8-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-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 8-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 68999624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).