(3R)-7-(1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl)-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol

C23H23NO3 — CID 171358384

IUPAC(3R)-7-(1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl)-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol
SMILESCOc1cccc2cc(C)c(-c3ccc4c(c3O)C(C)=N[C@H](C)C4)c(O)c12
InChIInChI=1S/C23H23NO3/c1-12-10-15-6-5-7-18(27-4)21(15)23(26)19(12)17-9-8-16-11-13(2)24-14(3)20(16)22(17)25/h5-10,13,25-26H,11H2,1-4H3/t13-/m1/s1
InChIKeyLRJSMUFSUWYAFY-CYBMUJFWSA-N
MW361.44 g/mol
LogP4.99
Rot. Bonds2

About (3R)-7-(1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl)-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol

(3R)-7-(1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl)-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol (PubChem CID 171358384) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is (3R)-7-(1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl)-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol.

Molecular Properties

Compound Name(3R)-7-(1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl)-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol
PubChem CID171358384
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name(3R)-7-(1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl)-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol
SMILESCOc1cccc2cc(C)c(-c3ccc4c(c3O)C(C)=N[C@H](C)C4)c(O)c12
InChIInChI=1S/C23H23NO3/c1-12-10-15-6-5-7-18(27-4)21(15)23(26)19(12)17-9-8-16-11-13(2)24-14(3)20(16)22(17)25/h5-10,13,25-26H,11H2,1-4H3/t13-/m1/s1
InChIKeyLRJSMUFSUWYAFY-CYBMUJFWSA-N
XLogP4.99
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-7-(1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl)-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol?
The IUPAC name of (3R)-7-(1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl)-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol (CID 171358384) is (3R)-7-(1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl)-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol.
What is the SMILES notation for (3R)-7-(1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl)-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol?
The canonical SMILES for (3R)-7-(1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl)-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol is COc1cccc2cc(C)c(-c3ccc4c(c3O)C(C)=N[C@H](C)C4)c(O)c12.
What is the InChIKey of (3R)-7-(1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl)-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol?
The InChIKey is LRJSMUFSUWYAFY-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H23NO3/c1-12-10-15-6-5-7-18(27-4)21(15)23(26)19(12)17-9-8-16-11-13(2)24-14(3)20(16)22(17)25/h5-10,13,25-26H,11H2,1-4H3/t13-/m1/s1.
What are the key properties of (3R)-7-(1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl)-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol?
(3R)-7-(1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl)-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol has a molecular weight of 361.44 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-(1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl)-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol is sourced from PubChem (CID 171358384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).