(1R)-6-methoxy-2-methyl-1-[(2-(76Br)bromo-4,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol

C20H24BrNO4 — CID 10598101

IUPAC(1R)-6-methoxy-2-methyl-1-[(2-(76Br)bromo-4,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCOc1cc2c(cc1O)[C@@H](Cc1cc(OC)c(OC)cc1[76Br])N(C)CC2
InChIInChI=1S/C20H24BrNO4/c1-22-6-5-12-8-18(24-2)17(23)10-14(12)16(22)7-13-9-19(25-3)20(26-4)11-15(13)21/h8-11,16,23H,5-7H2,1-4H3/t16-/m1/s1/i21-4
InChIKeyYVBUTIYRCMQJHW-GBIGYHKKSA-N
MW418.34 g/mol
LogP3.95
Rot. Bonds5

About (1R)-6-methoxy-2-methyl-1-[(2-(76Br)bromo-4,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol

(1R)-6-methoxy-2-methyl-1-[(2-(76Br)bromo-4,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol (PubChem CID 10598101) has the molecular formula C20H24BrNO4 and a molecular weight of 418.34 g/mol. Its IUPAC name is (1R)-6-methoxy-2-methyl-1-[(2-(76Br)bromo-4,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol.

Molecular Properties

Compound Name(1R)-6-methoxy-2-methyl-1-[(2-(76Br)bromo-4,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol
PubChem CID10598101
Molecular FormulaC20H24BrNO4
Molecular Weight418.34 g/mol
Exact Mass418.10
IUPAC Name(1R)-6-methoxy-2-methyl-1-[(2-(76Br)bromo-4,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCOc1cc2c(cc1O)[C@@H](Cc1cc(OC)c(OC)cc1[76Br])N(C)CC2
InChIInChI=1S/C20H24BrNO4/c1-22-6-5-12-8-18(24-2)17(23)10-14(12)16(22)7-13-9-19(25-3)20(26-4)11-15(13)21/h8-11,16,23H,5-7H2,1-4H3/t16-/m1/s1/i21-4
InChIKeyYVBUTIYRCMQJHW-GBIGYHKKSA-N
XLogP3.95
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-[2-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-4-methoxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
CID 162952977
(1S)-6-methoxy-2-methyl-1-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-7-ol
CID 6992052
(1S)-1-[[4-[5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
CID 10031670
4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenyl]phenol
CID 102154059
6-chloro-1-[(2,5-dimethoxy-4-propylphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride
CID 44530960
(1R)-1-[[4-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 163093188
(1R)-1-[[4-[5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-hydroxyphenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 5316322
(6aS)-9-[2-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-5-hydroxy-4-methoxyphenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
CID 102274107
1-[[4-[2-hydroxy-5-(hydroxymethyl)phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
CID 163034539
1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol;2,2,2-trifluoroacetic acid
CID 11561590
4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenol;2,2,2-trifluoroacetic acid
CID 11561591
1-[[4-[2-hydroxy-5-[(6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 78384735

Frequently Asked Questions

What is the IUPAC name of (1R)-6-methoxy-2-methyl-1-[(2-(76Br)bromo-4,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol?
The IUPAC name of (1R)-6-methoxy-2-methyl-1-[(2-(76Br)bromo-4,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol (CID 10598101) is (1R)-6-methoxy-2-methyl-1-[(2-(76Br)bromo-4,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol.
What is the SMILES notation for (1R)-6-methoxy-2-methyl-1-[(2-(76Br)bromo-4,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol?
The canonical SMILES for (1R)-6-methoxy-2-methyl-1-[(2-(76Br)bromo-4,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol is COc1cc2c(cc1O)[C@@H](Cc1cc(OC)c(OC)cc1[76Br])N(C)CC2.
What is the InChIKey of (1R)-6-methoxy-2-methyl-1-[(2-(76Br)bromo-4,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol?
The InChIKey is YVBUTIYRCMQJHW-GBIGYHKKSA-N. The full InChI is InChI=1S/C20H24BrNO4/c1-22-6-5-12-8-18(24-2)17(23)10-14(12)16(22)7-13-9-19(25-3)20(26-4)11-15(13)21/h8-11,16,23H,5-7H2,1-4H3/t16-/m1/s1/i21-4.
What are the key properties of (1R)-6-methoxy-2-methyl-1-[(2-(76Br)bromo-4,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol?
(1R)-6-methoxy-2-methyl-1-[(2-(76Br)bromo-4,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol has a molecular weight of 418.34 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-methoxy-2-methyl-1-[(2-(76Br)bromo-4,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 10598101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).