6,7-dimethoxy-1-(4-methoxyphenyl)-2-(2-methylphenyl)-1,4-dihydroisoquinolin-3-one

C25H25NO4 — CID 5337076

IUPAC6,7-dimethoxy-1-(4-methoxyphenyl)-2-(2-methylphenyl)-1,4-dihydroisoquinolin-3-one
SMILESCOc1ccc(C2c3cc(OC)c(OC)cc3CC(=O)N2c2ccccc2C)cc1
InChIInChI=1S/C25H25NO4/c1-16-7-5-6-8-21(16)26-24(27)14-18-13-22(29-3)23(30-4)15-20(18)25(26)17-9-11-19(28-2)12-10-17/h5-13,15,25H,14H2,1-4H3
InChIKeyZNAPZLNMKPACRB-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.70
Rot. Bonds5

About 6,7-dimethoxy-1-(4-methoxyphenyl)-2-(2-methylphenyl)-1,4-dihydroisoquinolin-3-one

6,7-dimethoxy-1-(4-methoxyphenyl)-2-(2-methylphenyl)-1,4-dihydroisoquinolin-3-one (PubChem CID 5337076) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 6,7-dimethoxy-1-(4-methoxyphenyl)-2-(2-methylphenyl)-1,4-dihydroisoquinolin-3-one.

Molecular Properties

Compound Name6,7-dimethoxy-1-(4-methoxyphenyl)-2-(2-methylphenyl)-1,4-dihydroisoquinolin-3-one
PubChem CID5337076
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name6,7-dimethoxy-1-(4-methoxyphenyl)-2-(2-methylphenyl)-1,4-dihydroisoquinolin-3-one
SMILESCOc1ccc(C2c3cc(OC)c(OC)cc3CC(=O)N2c2ccccc2C)cc1
InChIInChI=1S/C25H25NO4/c1-16-7-5-6-8-21(16)26-24(27)14-18-13-22(29-3)23(30-4)15-20(18)25(26)17-9-11-19(28-2)12-10-17/h5-13,15,25H,14H2,1-4H3
InChIKeyZNAPZLNMKPACRB-UHFFFAOYSA-N
XLogP4.70
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-6,7-dimethoxy-1-(4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroisoquinolin-3-one
CID 92670266
6-aminooxy-1-(4-chlorophenyl)-7-methoxy-2-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one
CID 90464049
(1R)-2-(4-chlorophenyl)-6,7-diethoxy-1-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one
CID 2037455
(1S)-7-butan-2-yloxy-1-(4-chlorophenyl)-6-methoxy-2-(4-methoxyphenyl)-1,4-dihydroisoquinolin-3-one
CID 67390099
1-(4-chlorophenyl)-2-[4-[hydroxy-(4-methoxyphenyl)methyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one
CID 78033455
(1S)-1-(2-chlorophenyl)-6,7-dimethoxy-2-(4-methylphenyl)-1,4-dihydroisoquinolin-3-one
CID 984276
1-(4-chlorophenyl)-7-hydroxy-6-methoxy-2-(2-methoxy-4-methylphenyl)-1,4-dihydroisoquinolin-3-one
CID 58438111
6,7-dimethoxy-1-(4-methoxyphenyl)-2,4-dihydro-1H-isoquinolin-3-one
CID 6456492
(3S)-3-[(1R)-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-1-phenylpyrrolidine-2,5-dione
CID 124719266
7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-2-(4-methoxyphenyl)-6-(2-methylpropoxy)-1,4-dihydroisoquinolin-3-one
CID 58438268
(3S)-1-(2,3-dimethylphenyl)-4-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)piperazine-2,5-dione
CID 40944392
(1R)-6,7-diethoxy-2-(4-methylphenyl)-1-(3,4,5-trimethoxyphenyl)-1,4-dihydroisoquinolin-3-one
CID 92670297

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-(4-methoxyphenyl)-2-(2-methylphenyl)-1,4-dihydroisoquinolin-3-one?
The IUPAC name of 6,7-dimethoxy-1-(4-methoxyphenyl)-2-(2-methylphenyl)-1,4-dihydroisoquinolin-3-one (CID 5337076) is 6,7-dimethoxy-1-(4-methoxyphenyl)-2-(2-methylphenyl)-1,4-dihydroisoquinolin-3-one.
What is the SMILES notation for 6,7-dimethoxy-1-(4-methoxyphenyl)-2-(2-methylphenyl)-1,4-dihydroisoquinolin-3-one?
The canonical SMILES for 6,7-dimethoxy-1-(4-methoxyphenyl)-2-(2-methylphenyl)-1,4-dihydroisoquinolin-3-one is COc1ccc(C2c3cc(OC)c(OC)cc3CC(=O)N2c2ccccc2C)cc1.
What is the InChIKey of 6,7-dimethoxy-1-(4-methoxyphenyl)-2-(2-methylphenyl)-1,4-dihydroisoquinolin-3-one?
The InChIKey is ZNAPZLNMKPACRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-16-7-5-6-8-21(16)26-24(27)14-18-13-22(29-3)23(30-4)15-20(18)25(26)17-9-11-19(28-2)12-10-17/h5-13,15,25H,14H2,1-4H3.
What are the key properties of 6,7-dimethoxy-1-(4-methoxyphenyl)-2-(2-methylphenyl)-1,4-dihydroisoquinolin-3-one?
6,7-dimethoxy-1-(4-methoxyphenyl)-2-(2-methylphenyl)-1,4-dihydroisoquinolin-3-one has a molecular weight of 403.48 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-(4-methoxyphenyl)-2-(2-methylphenyl)-1,4-dihydroisoquinolin-3-one is sourced from PubChem (CID 5337076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).