6-methoxy-1-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-1H-isoquinoline

C23H23NO2 — CID 3024623

IUPAC6-methoxy-1-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(C2c3ccc(OC)cc3CCN2c2ccccc2)cc1
InChIInChI=1S/C23H23NO2/c1-25-20-10-8-17(9-11-20)23-22-13-12-21(26-2)16-18(22)14-15-24(23)19-6-4-3-5-7-19/h3-13,16,23H,14-15H2,1-2H3
InChIKeyYGGGFIXJKTVTNF-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.86
Rot. Bonds4

About 6-methoxy-1-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-1H-isoquinoline

6-methoxy-1-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 3024623) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 6-methoxy-1-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-methoxy-1-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID3024623
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name6-methoxy-1-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(C2c3ccc(OC)cc3CCN2c2ccccc2)cc1
InChIInChI=1S/C23H23NO2/c1-25-20-10-8-17(9-11-20)23-22-13-12-21(26-2)16-18(22)14-15-24(23)19-6-4-3-5-7-19/h3-13,16,23H,14-15H2,1-2H3
InChIKeyYGGGFIXJKTVTNF-UHFFFAOYSA-N
XLogP4.86
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-Dihydro-1,2-dimethoxy-6-methyl-4H-dibenzo(de,g)quinoline
CID 821347
Csh 068
CID 259676
2-Phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 9953602
2-Phenyl-1-[4-(2-Piperidin-1-Yl-Ethoxy)-Phenyl]-1,2,3,4-Tetrahydro-Isoquinolin-6-Ol
CID 448915
1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10361439
1-(4-Fluorophenyl)-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 3024714
2-(4-Fluorophenyl)-1-methyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10026593
2-(4-Fluorophenyl)-1-methyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10479379
2-[3-(Dimethylamino)phenyl]-1-methyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10885394
1-Methyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-2-[3-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10917876
1-Methyl-2-(4-methylphenyl)-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10928571
2-(3-Hydroxyphenyl)-1-methyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10939453

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-methoxy-1-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-1H-isoquinoline (CID 3024623) is 6-methoxy-1-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-methoxy-1-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-methoxy-1-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-1H-isoquinoline is COc1ccc(C2c3ccc(OC)cc3CCN2c2ccccc2)cc1.
What is the InChIKey of 6-methoxy-1-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is YGGGFIXJKTVTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-25-20-10-8-17(9-11-20)23-22-13-12-21(26-2)16-18(22)14-15-24(23)19-6-4-3-5-7-19/h3-13,16,23H,14-15H2,1-2H3.
What are the key properties of 6-methoxy-1-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-1H-isoquinoline?
6-methoxy-1-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 345.44 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(4-methoxyphenyl)-2-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 3024623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).