1-[(3R)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-4,5-dimethoxynaphthalen-2-ol

C25H27NO5 — CID 163065271

IUPAC1-[(3R)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-4,5-dimethoxynaphthalen-2-ol
SMILESCOc1cc2c(c(OC)c1-c1c(O)cc(OC)c3c(OC)cccc13)C(C)=N[C@H](C)C2
InChIInChI=1S/C25H27NO5/c1-13-10-15-11-19(29-4)24(25(31-6)21(15)14(2)26-13)22-16-8-7-9-18(28-3)23(16)20(30-5)12-17(22)27/h7-9,11-13,27H,10H2,1-6H3/t13-/m1/s1
InChIKeyCLRLXEFRRVACNF-CYBMUJFWSA-N
MW421.49 g/mol
LogP5.00
Rot. Bonds5

About 1-[(3R)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-4,5-dimethoxynaphthalen-2-ol

1-[(3R)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-4,5-dimethoxynaphthalen-2-ol (PubChem CID 163065271) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is 1-[(3R)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-4,5-dimethoxynaphthalen-2-ol.

Molecular Properties

Compound Name1-[(3R)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-4,5-dimethoxynaphthalen-2-ol
PubChem CID163065271
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name1-[(3R)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-4,5-dimethoxynaphthalen-2-ol
SMILESCOc1cc2c(c(OC)c1-c1c(O)cc(OC)c3c(OC)cccc13)C(C)=N[C@H](C)C2
InChIInChI=1S/C25H27NO5/c1-13-10-15-11-19(29-4)24(25(31-6)21(15)14(2)26-13)22-16-8-7-9-18(28-3)23(16)20(30-5)12-17(22)27/h7-9,11-13,27H,10H2,1-6H3/t13-/m1/s1
InChIKeyCLRLXEFRRVACNF-CYBMUJFWSA-N
XLogP5.00
TPSA69.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.49
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3R)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-4,5-dimethoxynaphthalen-2-ol with MolForge

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Related Compounds

7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol
CID 4534320
(1S,3S)-5-(4-hydroxy-5-methoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 15767943
(9R,10S)-4,14,15-trimethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,5,16-triol
CID 46832246
8-methoxy-3-methyl-4-phenylnaphthalen-1-ol
CID 101420154
5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,2,3-trimethyl-3,4-dihydro-1H-isoquinoline
CID 72758119
6-(9,10-dihydroxy-7-methoxy-3-methyl-1-oxo-3,4-dihydrobenzo[g]isochromen-6-yl)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one
CID 102072097
(9S,10S)-4,5,15,16-tetramethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-3,14-diol
CID 163059787
(1R,3R)-7-(5-hydroxy-4-methoxy-2-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 10384109
3,5-dimethoxy-2-[3-naphthalen-1-yl-2-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 177249115
1-(2,6-dihydroxy-4,7-dimethoxyphenanthren-1-yl)-4,7-dimethoxyphenanthrene-2,6-diol
CID 86198082
(1R,3R)-7-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 155552929
8-hydroxy-5,6-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one
CID 15677559

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-4,5-dimethoxynaphthalen-2-ol?
The IUPAC name of 1-[(3R)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-4,5-dimethoxynaphthalen-2-ol (CID 163065271) is 1-[(3R)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-4,5-dimethoxynaphthalen-2-ol.
What is the SMILES notation for 1-[(3R)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-4,5-dimethoxynaphthalen-2-ol?
The canonical SMILES for 1-[(3R)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-4,5-dimethoxynaphthalen-2-ol is COc1cc2c(c(OC)c1-c1c(O)cc(OC)c3c(OC)cccc13)C(C)=N[C@H](C)C2.
What is the InChIKey of 1-[(3R)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-4,5-dimethoxynaphthalen-2-ol?
The InChIKey is CLRLXEFRRVACNF-CYBMUJFWSA-N. The full InChI is InChI=1S/C25H27NO5/c1-13-10-15-11-19(29-4)24(25(31-6)21(15)14(2)26-13)22-16-8-7-9-18(28-3)23(16)20(30-5)12-17(22)27/h7-9,11-13,27H,10H2,1-6H3/t13-/m1/s1.
What are the key properties of 1-[(3R)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-4,5-dimethoxynaphthalen-2-ol?
1-[(3R)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-4,5-dimethoxynaphthalen-2-ol has a molecular weight of 421.49 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-4,5-dimethoxynaphthalen-2-ol is sourced from PubChem (CID 163065271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).