2-phenyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-one

C24H21NO4 — CID 102338690

IUPAC2-phenyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-one
SMILESCOc1cc(-c2cc3ccccc3c(=O)n2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H21NO4/c1-27-21-14-17(15-22(28-2)23(21)29-3)20-13-16-9-7-8-12-19(16)24(26)25(20)18-10-5-4-6-11-18/h4-15H,1-3H3
InChIKeyDGCNEYBKSNEFHB-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.68
Rot. Bonds5

About 2-phenyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-one

2-phenyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-one (PubChem CID 102338690) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-phenyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-one.

Molecular Properties

Compound Name2-phenyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-one
PubChem CID102338690
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name2-phenyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-one
SMILESCOc1cc(-c2cc3ccccc3c(=O)n2-c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C24H21NO4/c1-27-21-14-17(15-22(28-2)23(21)29-3)20-13-16-9-7-8-12-19(16)24(26)25(20)18-10-5-4-6-11-18/h4-15H,1-3H3
InChIKeyDGCNEYBKSNEFHB-UHFFFAOYSA-N
XLogP4.68
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-3-pyridin-4-ylisoquinolin-1-one
CID 15193134
3-(4-methylsulfanylphenyl)-2-phenylisoquinolin-1-one
CID 102338686
3-amino-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 777426
3-methyl-2-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]indol-1-one
CID 11703021
3-(4-methoxyphenyl)-2-methylisoquinolin-1-one
CID 1233900
4-phenyl-1,2-bis(3,4,5-trimethoxybenzoyl)-1,2,4-triazolidine-3,5-dione
CID 19775219
1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol
CID 102188168
2-(2,3-dimethoxyphenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303770
3-phenyl-4-(3,4,5-trimethoxyphenyl)furan-2,5-dione
CID 46225317
2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid
CID 10476947
2-[3-(3,4,5-trimethoxyphenyl)phenyl]isoindole-1,3-dione
CID 168517559
2-(3,4,5-trimethoxyphenyl)-1-[2-(3,4,5-trimethoxyphenyl)naphthalen-1-yl]selenonylnaphthalene
CID 141321863

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-one?
The IUPAC name of 2-phenyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-one (CID 102338690) is 2-phenyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-one.
What is the SMILES notation for 2-phenyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-one?
The canonical SMILES for 2-phenyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-one is COc1cc(-c2cc3ccccc3c(=O)n2-c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 2-phenyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-one?
The InChIKey is DGCNEYBKSNEFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-27-21-14-17(15-22(28-2)23(21)29-3)20-13-16-9-7-8-12-19(16)24(26)25(20)18-10-5-4-6-11-18/h4-15H,1-3H3.
What are the key properties of 2-phenyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-one?
2-phenyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-one has a molecular weight of 387.44 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-one is sourced from PubChem (CID 102338690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).